Geometry & MOs

Info

ID:	446965
PubChem CID:	135279153
Reduced:	NOC16H32 (1)
Stoich.:	ABC16D32 (1)
Weight, g/mol:	228.23274
ΔH_f, kcal/mol:	-53.11
Dipole, Da:	1.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751887
Charge, e:	1

Chem-info

IUPAC name:

(3-ethyl-3,5-dimethylhex-5-enyl)-(2-hydroxyethyl)-dimethylazanium

Drug info:

PubChemData

Smile

CC1CC2CC(C1)(CC(C2)(C)[N+](C)(C)CCO)C

DOS

IR

Vibrations