Geometry & MOs

Info

ID:	335522
PubChem CID:	127254384
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	340.117155
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	4.11
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-oxo-N-[2-(4-oxoquinazolin-3-yl)ethyl]-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1C(=O)N3CCN(CC3)C(=O)C4=CC(=O)C(=CN4)OC

DOS

IR

Vibrations