Geometry & MOs

Info

ID:	382512
PubChem CID:	134973720
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	125.09664
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	3.7
IP(EA), eV:	-8.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=CN(C2=CC=CC=C21)CC#N

DOS

IR

Vibrations