Geometry & MOs

Info

ID:	20464
PubChem CID:	584096
Reduced:	ON4C8H8 (1)
Stoich.:	AB4C8D8 (1)
Weight, g/mol:	176.069811
ΔH_f, kcal/mol:	32.47
Dipole, Da:	9.65
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3,5-dihydropyrimido[4,5-b][1,4]diazepin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=O)N1)N=CC=CN2

DOS

IR

Vibrations