Geometry & MOs

Info

ID:	122912
PubChem CID:	50826523
Reduced:	O3N4C29H30 (1)
Stoich.:	A3B4C29D30 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	6.63
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC3=NC=C(C=N3)C4=CC=C(C=C4)C)OCC

DOS

IR

Vibrations