Geometry & MOs

Info

ID:	369044
PubChem CID:	127331166
Reduced:	O3N6C19H28 (1)
Stoich.:	A3B6C19D28 (1)
Weight, g/mol:	341.160023
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	6.92
IP(EA), eV:	-8.54(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)N3CCC(CC3)C(=O)N4CCCC4

DOS

IR

Vibrations