Geometry & MOs

Info

ID:	426681
PubChem CID:	135153309
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-65.92
Dipole, Da:	6.62
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butan-2-yl-2-nitrophenyl)-N-(2-methylpropyl)oxan-4-amine

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)[N+](=O)[O-]

DOS

IR

Vibrations