Geometry & MOs

Info

ID:	29656
PubChem CID:	836216
Reduced:	NOSC10H15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	307.116821
ΔH_f, kcal/mol:	-40.9
Dipole, Da:	3.26
IP(EA), eV:	-9.35(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(3,4-dimethoxyphenyl)-3,4-dimethyl-5-nitro-1,6-dihydropyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CC1=CC=CS1

DOS

IR

Vibrations