Geometry & MOs

Info

ID:	355709
PubChem CID:	127289782
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-28.37
Dipole, Da:	3.91
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)N2CCCC2=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations