Geometry & MOs

Info

ID:	228089
PubChem CID:	87563379
Reduced:	NSO4H13C20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	510.122546
ΔH_f, kcal/mol:	-31.87
Dipole, Da:	6.49
IP(EA), eV:	-8.68(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-chlorophenoxy)acetyl]-2-[2-(4-chlorophenyl)ethylamino]-3-prop-2-ynyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1/C(=C(\C2=CC3=CC=CC=C3C=C2)/O)/C(=O)C4=C(S1)C(=O)C(=O)C=C4

DOS

IR

Vibrations