Geometry & MOs

Info

ID:	36943
PubChem CID:	8015169
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	359.090606
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	3.94
IP(EA), eV:	-7.71(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N(CC)CC

DOS

IR

Vibrations