Geometry & MOs

Info

ID:	56367
PubChem CID:	17425192
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	8.86
Dipole, Da:	3.04
IP(EA), eV:	-9.21(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-thiophen-3-ylacetamide

Drug info:

PubChemData

Smile

CCCNC(=O)/C=C/C1=NC2=CC=CC=C2S1

DOS

IR

Vibrations