Geometry & MOs

Info

ID:

435814

PubChem CID:

135192494

Reduced:

Cl2O2N9C28H31 (1)

Stoich.:

A2B2C9D28E31 (1)

Weight, g/mol:

343.200825

ΔHf, kcal/mol:

36.79

Dipole, Da:

2.69

IP(EA), eV:

 -8.68(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9R,14S)-14-amino-3-(2-hydroxyethyl)-9-methyl-3,4,7,16-tetrazatricyclo[13.3.1.02,6]nonadeca-1(19),2(6),4,15,17-pentaen-8-one

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NC1=C(N(N=C1)C)C2=CC=CC(=N2)CN3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N(/C=C(\N)/Cl)N

DOS

IR

Vibrations