Geometry & MOs

Info

ID:	170547
PubChem CID:	75249639
Reduced:	PO4C25H43 (1)
Stoich.:	AB4C25D43 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	-174.1
Dipole, Da:	5.18
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-8-pyridin-3-yl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Drug info:

PubChemData

Smile

CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)([O-])[O-]

DOS

IR

Vibrations