Geometry & MOs

Info

ID:	408234
PubChem CID:	135080996
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	2.04
IP(EA), eV:	-8.93(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-4,4-dimethyl-3-(nitromethyl)-2-propan-2-ylpentanal

Drug info:

PubChemData

Smile

C=CCN1CCOC(C1C2=CC=CC=C2)O

DOS

IR

Vibrations