Geometry & MOs

Info

ID:	438437
PubChem CID:	135228178
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-122.47
Dipole, Da:	2.48
IP(EA), eV:	-9.94(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[ethyl(methyl)amino]-7-methoxy-4-methylidene-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN(CC(=O)N)/C(=C\C=C/C=O)/C(=O)OC

DOS

IR

Vibrations