Geometry & MOs

Info

ID:	79961
PubChem CID:	49831850
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	439.128054
ΔH_f, kcal/mol:	-107.3
Dipole, Da:	4.29
IP(EA), eV:	-8.97(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenylquinazolin-4-one

Drug info:

PubChemData

Smile

CCCC(=O)[C@@H](C)[C@@H](/C(=C/C(=C/C)/C)/C)O

DOS

IR

Vibrations