Geometry & MOs

Info

ID:	122911
PubChem CID:	50826473
Reduced:	FO2N5H24C27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	-5.48
Dipole, Da:	3.38
IP(EA), eV:	-8.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-diethoxyphenyl)methyl]-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC4=NC=C(C=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations