Geometry & MOs

Info

ID:	192703
PubChem CID:	78302741
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	10.9
IP(EA), eV:	-9.07(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C3=C(O2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3)C

DOS

IR

Vibrations