Geometry & MOs

Info

ID:	136377
PubChem CID:	52030871
Reduced:	Cl2O2N3H21C22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	439.08954
ΔH_f, kcal/mol:	-46.87
Dipole, Da:	4.95
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)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)NCC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)C

DOS

IR

Vibrations