Geometry & MOs

Info

ID:	192704
PubChem CID:	78302742
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	361.082934
ΔH_f, kcal/mol:	-48.82
Dipole, Da:	11.34
IP(EA), eV:	-9.03(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methyl-9-nitro-1,2,3,4,4a,13a-hexahydrochromeno[2,3-b][1,5]benzodiazepin-13-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=CC3=C1OC4CCC(CC4C3=O)C

DOS

IR

Vibrations