Geometry & MOs

Info

ID:	387105
PubChem CID:	134984016
Reduced:	NO10C15H23 (1)
Stoich.:	AB10C15D23 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-397.68
Dipole, Da:	3.94
IP(EA), eV:	-11.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-methyl-3-(nitromethyl)-2-phenylheptanal

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C(CCC[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations