Geometry & MOs

Info

ID:	85762
PubChem CID:	49878886
Reduced:	ON4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	414.124739
ΔH_f, kcal/mol:	58.21
Dipole, Da:	3.18
IP(EA), eV:	-9.12(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC=CC(=N2)NC3=CC=C(C=C3)C(=O)NC4CC4

DOS

IR

Vibrations