Geometry & MOs

Info

ID:	65498
PubChem CID:	46386560
Reduced:	N3O4H21C25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	397.142641
ΔH_f, kcal/mol:	-32.11
Dipole, Da:	7.15
IP(EA), eV:	-8.65(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC=C4OC

DOS

IR

Vibrations