Geometry & MOs

Info

ID:	150521
PubChem CID:	53790214
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	474.193487
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	1.85
IP(EA), eV:	-9.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4-chlorophenyl)methyl-pyridin-2-ylamino]propylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(=N)CC(=O)OC1=CC=CC=C1

DOS

IR

Vibrations