Geometry & MOs

Info

ID:	170650
PubChem CID:	75263170
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-158.29
Dipole, Da:	4.42
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl]-N-ethyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)C2=CC(=CC=C2)NC(=O)COCCOC

DOS

IR

Vibrations