Geometry & MOs

Info

ID:	65534
PubChem CID:	46386596
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	6.05
IP(EA), eV:	-8.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations