Geometry & MOs

Info

ID:	407502
PubChem CID:	135080247
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	183.053158
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	3.9
IP(EA), eV:	-9.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-nitro-2-phenylethane-1,2-diol

Drug info:

PubChemData

Smile

CC1CCC(C(C1)NC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations