Geometry & MOs

Info

ID:	161689
PubChem CID:	57392337
Reduced:	INC25H42 (1)
Stoich.:	ABC25D42 (1)
Weight, g/mol:	356.331725
ΔH_f, kcal/mol:	36.86
Dipole, Da:	49.15
IP(EA), eV:	-4.71(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[4-(4-octylphenyl)cyclohexyl]-prop-2-enylazanium

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)[N+](C)(C)CC=C.[I-]

DOS

IR

Vibrations