Geometry & MOs

Info

ID:	431712
PubChem CID:	135171808
Reduced:	N2O5C21H32 (1)
Stoich.:	A2B5C21D32 (1)
Weight, g/mol:	239.224915
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	6.93
IP(EA), eV:	-8.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-but-1-enyl]-4-methoxy-N-(2-methylpropyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)OCC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations