Geometry & MOs

Info

ID:	1525
PubChem CID:	4643
Reduced:	NO3C22H36 (1)
Stoich.:	AB3C22D36 (1)
Weight, g/mol:	362.269519
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753533
Charge, e:	1

Chem-info

IUPAC name:

2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-triethylazanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

DOS

IR

Vibrations