Geometry & MOs

Info

ID:	198656
PubChem CID:	79131104
Reduced:	ClOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-24.37
Dipole, Da:	4.75
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-1-piperidin-3-ylethyl)-3-methylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)SCC(=O)NC2=C(C(=CC=C2)Cl)C)N

DOS

IR

Vibrations