Geometry & MOs

Info

ID:	387411
PubChem CID:	134985285
Reduced:	NO4C16H27 (1)
Stoich.:	AB4C16D27 (1)
Weight, g/mol:	215.188529
ΔH_f, kcal/mol:	-128.7
Dipole, Da:	3.06
IP(EA), eV:	-9.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(nitromethyl)decane

Drug info:

PubChemData

Smile

CC1(COC2(/C(=C\C(C)(C)C)/CCC2(C)[N+](=O)[O-])OC1)C

DOS

IR

Vibrations