Geometry & MOs

Info

ID:	192700
PubChem CID:	78302738
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	11.34
IP(EA), eV:	-9.07(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-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=C1OC4CCCCC4C3=O

DOS

IR

Vibrations