Geometry & MOs

Info

ID:	160650
PubChem CID:	57389318
Reduced:	FO2N7C22H22 (1)
Stoich.:	AB2C7D22E22 (1)
Weight, g/mol:	274.062139
ΔH_f, kcal/mol:	43.31
Dipole, Da:	4.6
IP(EA), eV:	-9.11(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloroanilino)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCN(CCN1C=CC(=N1)C2=NC=C(C=C2)F)C(=O)C3=C(C=CC(=C3)OC)N4N=CC=N4

DOS

IR

Vibrations