Geometry & MOs

Info

ID:	65545
PubChem CID:	46386607
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	457.163771
ΔH_f, kcal/mol:	-43.53
Dipole, Da:	4.58
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations