Geometry & MOs

Info

ID:	204556
PubChem CID:	79982812
Reduced:	ClN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	54.84
Dipole, Da:	3.86
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-cyclopropylphenyl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CN=CC(=C1CN2C=C(N=C2)CCN)Cl

DOS

IR

Vibrations