Geometry & MOs

Info

ID:	192702
PubChem CID:	78302740
Reduced:	N3O5H19C23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	7.97
IP(EA), eV:	-9.51(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C3=C(O2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations