Geometry & MOs

Info

ID:	136374
PubChem CID:	52030827
Reduced:	BrO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	399.114983
ΔH_f, kcal/mol:	-26.42
Dipole, Da:	4.25
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-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=CC=C(C=C2)Br)C3=CC=CC=C3)C

DOS

IR

Vibrations