Geometry & MOs

Info

ID:	195647
PubChem CID:	78715339
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	16.46
Dipole, Da:	4.84
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN(C)C(C)C(=O)NC2=CC=CC=C2C#N

DOS

IR

Vibrations