Geometry & MOs

Info

ID:	142924
PubChem CID:	53116404
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	499.210721
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	2.18
IP(EA), eV:	-9.44(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2C(=O)N(C1=O)CC(=O)NCCCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations