Geometry & MOs

Info

ID:	65483
PubChem CID:	46386545
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	445.119319
ΔH_f, kcal/mol:	1.99
Dipole, Da:	3.57
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations