Geometry & MOs

Info

ID:	335486
PubChem CID:	127254348
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	346.10659
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	7.24
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-4-oxoquinazolin-6-yl)-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CN(N=C3)C)O

DOS

IR

Vibrations