Geometry & MOs

Info

ID:	342690
PubChem CID:	127265850
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	30.76
Dipole, Da:	10.37
IP(EA), eV:	-9.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)C(=CC2=CC=C(C=C2)C#N)CC

DOS

IR

Vibrations