Geometry & MOs

Info

ID:	198606
PubChem CID:	79124219
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	305.154642
ΔH_f, kcal/mol:	-90.51
Dipole, Da:	3.34
IP(EA), eV:	-9.37(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1-[(3-chlorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(C1)(CN)C3(CCCOCC3)O

DOS

IR

Vibrations