Geometry & MOs

Info

ID:	142698
PubChem CID:	53077979
Reduced:	ClON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	400.109089
ΔH_f, kcal/mol:	22.73
Dipole, Da:	4.98
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC=CC(=N2)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations