Geometry & MOs

Info

ID:	11982
PubChem CID:	125484
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	-35.82
Dipole, Da:	4.81
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6,11-dihydro-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=O)N1)NC3=CC=CC=C3NC2=O

DOS

IR

Vibrations