Geometry & MOs

Info

ID:

327420

PubChem CID:

126689846

Reduced:

N3O4H39C41 (1)

Stoich.:

A3B4C39D41 (1)

Weight, g/mol:

381.168856

ΔHf, kcal/mol:

-37.97

Dipole, Da:

2.92

IP(EA), eV:

 -8.17(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6aS)-10-(dimethylamino)-3-hydroxy-2-methoxy-5-methyl-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepine-6,14-dione

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C2C(=C1)NC(=O)[C@@H]3CC4=C(CN3C2=O)C=C(C=C4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)OC

DOS

IR

Vibrations