Geometry & MOs

Info

ID:	12089
PubChem CID:	129923
Reduced:	NO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	179.058243
ΔH_f, kcal/mol:	-13.1
Dipole, Da:	5.3
IP(EA), eV:	-10.57(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

C=CC(C1=CC=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations