Geometry & MOs

Info

ID:	391498
PubChem CID:	135005929
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	2.91
IP(EA), eV:	-9.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-3-methylbutanal

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CC=O)C1=CC=CC=C1OC)[N+](=O)[O-]

DOS

IR

Vibrations