Geometry & MOs

Info

ID:	21675
PubChem CID:	589485
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	3.24
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-1,3-dihydro-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC(=C2)C)NC(=O)C1

DOS

IR

Vibrations