Geometry & MOs

Info

ID:	65540
PubChem CID:	46386602
Reduced:	N3O3H25C27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	4.43
IP(EA), eV:	-8.61(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations