Geometry & MOs

Info

ID:

53929

PubChem CID:

14718403

Reduced:

O9N12C45H64 (1)

Stoich.:

A9B12C45D64 (1)

Weight, g/mol:

267.162314

ΔHf, kcal/mol:

-349.9

Dipole, Da:

16.18

IP(EA), eV:

 -8.83(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11,13-pentaene

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCN=C(N)N)N

DOS

IR

Vibrations