Geometry & MOs

Info

ID:	21949
PubChem CID:	594132
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-39.59
Dipole, Da:	6.01
IP(EA), eV:	-9.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxy-4-pentylcyclohexyl)benzonitrile

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)(C2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations