Geometry & MOs

Info

ID:	389250
PubChem CID:	134991833
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	4.77
IP(EA), eV:	-9.53(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,4S)-4-tert-butylcyclohex-2-en-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1C(=O)[C@@H]2CCC=C[C@@H]2N(C1=O)C(C)C

DOS

IR

Vibrations