Geometry & MOs

Info

ID:	333752
PubChem CID:	127252304
Reduced:	ClN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	428.23246
ΔH_f, kcal/mol:	-60.95
Dipole, Da:	3.67
IP(EA), eV:	-9.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-8-(3-phenylpropyl)-2-(1-pyrimidin-5-ylpyrrolidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations