Geometry & MOs

Info

ID:	368377
PubChem CID:	127328265
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	5.43
IP(EA), eV:	-9.01(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-methylpyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CN(C1CCN(C1=O)C2=CC=CC=C2)C(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations