Geometry & MOs

Info

ID:	142289
PubChem CID:	53010787
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	461.114234
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	5.46
IP(EA), eV:	-8.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)C3=CC=CC(=C3)C

DOS

IR

Vibrations