Geometry & MOs

Info

ID:	136368
PubChem CID:	52029530
Reduced:	ClFO2N3H17C20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-76.96
Dipole, Da:	2.76
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=O)N1CCC(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC=CC=C3

DOS

IR

Vibrations