Geometry & MOs

Info

ID:	65503
PubChem CID:	46386565
Reduced:	O3N4C30H30 (1)
Stoich.:	A3B4C30D30 (1)
Weight, g/mol:	457.163771
ΔH_f, kcal/mol:	-3.54
Dipole, Da:	4.73
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations