Geometry & MOs

Info

ID:	136372
PubChem CID:	52030439
Reduced:	FO2N3H20C25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	425.07389
ΔH_f, kcal/mol:	-36.18
Dipole, Da:	4.16
IP(EA), eV:	-9.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-3-(4,5-dimethyl-6-oxo-2-phenylpyrimidin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)C3=CC=CC=C3)CCC(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations