Geometry & MOs

Info

ID:	28403
PubChem CID:	827376
Reduced:	NOSC15H17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	4.72
Dipole, Da:	3.65
IP(EA), eV:	-8.34(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(2-phenylhydrazinyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1SC2=CC=C(C=C2)O

DOS

IR

Vibrations