Geometry & MOs

Info

ID:	327806
PubChem CID:	126691091
Reduced:	NSH45C62 (1)
Stoich.:	ABC45D62 (1)
Weight, g/mol:	156.151415
ΔH_f, kcal/mol:	225.34
Dipole, Da:	2.0
IP(EA), eV:	-8.14(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-3-tert-butylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC(CCC4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC9=CC=CC=C98)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations