Geometry & MOs

Info

ID:	364047
PubChem CID:	127313718
Reduced:	BrON5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	356.104003
ΔH_f, kcal/mol:	62.71
Dipole, Da:	8.16
IP(EA), eV:	-9.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NN2)C(=O)N3CCC4=CN=CN=C4C3)Br

DOS

IR

Vibrations