Geometry & MOs

Info

ID:

336880

PubChem CID:

127255887

Reduced:

O3N7H31C32 (1)

Stoich.:

A3B7C31D32 (1)

Weight, g/mol:

461.342443

ΔHf, kcal/mol:

51.19

Dipole, Da:

8.47

IP(EA), eV:

 -8.94(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-amino-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one;hydrochloride

Drug info:

PubChemData

Smile

CN(C1=CC=CC(=C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N)C(=O)/C=C/CNCC6CC6

DOS

IR

Vibrations