Geometry & MOs

Info

ID:	136375
PubChem CID:	52030828
Reduced:	ClFO2N3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	395.140055
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	3.47
IP(EA), eV:	-9.23(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-(4,5-dimethyl-6-oxo-2-phenylpyrimidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N(C1=O)CCC(=O)NC2=C(C=C(C=C2)F)Cl)C3=CC=CC=C3)C

DOS

IR

Vibrations