Geometry & MOs

Info

ID:	364014
PubChem CID:	127313685
Reduced:	ClO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	340.133554
ΔH_f, kcal/mol:	-1.14
Dipole, Da:	3.91
IP(EA), eV:	-9.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)N2CCC3=CN=CN=C3C2)Cl

DOS

IR

Vibrations