Geometry & MOs

Info

ID:	36584
PubChem CID:	8009173
Reduced:	ON3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	13.44
Dipole, Da:	3.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.946931
Charge, e:	0

Chem-info

IUPAC name:

(6S)-5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)C2=CC=CC=[N+]2C

DOS

IR

Vibrations