Geometry & MOs

Info

ID:	333511
PubChem CID:	127252063
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-23.6
Dipole, Da:	4.74
IP(EA), eV:	-9.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-[1-(2-phenylacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C3CCN(C3)CC4=CN=CC=C4)C(=O)N(C1=O)C

DOS

IR

Vibrations