Geometry & MOs

Info

ID:	402211
PubChem CID:	135054967
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	3.58
IP(EA), eV:	-9.27(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-ethyl-5-methyl-3-(nitromethyl)hexanal

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@](C)(CNC(=O)C)OC(=O)C

DOS

IR

Vibrations