Geometry & MOs

Info

ID:	20302
PubChem CID:	583017
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	4.22
IP(EA), eV:	-9.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-1-phenylhex-1-en-3-ol

Drug info:

PubChemData

Smile

CC(CC(C=CC1=CC=CC=C1)O)[N+](=O)[O-]

DOS

IR

Vibrations