Geometry & MOs

Info

ID:	408122
PubChem CID:	135080879
Reduced:	N2O4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-182.64
Dipole, Da:	2.34
IP(EA), eV:	-10.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CC1CC(=O)O)C(=O)NC(=O)N2

DOS

IR

Vibrations