Geometry & MOs

Info

ID:	8141
PubChem CID:	75148
Reduced:	NC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	185.120449
ΔH_f, kcal/mol:	33.65
Dipole, Da:	3.88
IP(EA), eV:	-9.68(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C2=CC=CC=C2

DOS

IR

Vibrations