Geometry & MOs

Info

ID:	65521
PubChem CID:	46386583
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	4.08
IP(EA), eV:	-9.2(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC=CC(=C1)C2=NC=CC(=N2)OC3=CC=CC(=C3)OC

DOS

IR

Vibrations