Geometry & MOs

Info

ID:	3436
PubChem CID:	9655
Reduced:	ClNOC16H25 (1)
Stoich.:	ABCD16E25 (1)
Weight, g/mol:	282.162467
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	2.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750853
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-hydroxycyclohexyl]methyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CC1CCCCC1(C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations