Geometry & MOs

Info

ID:	198637
PubChem CID:	79128182
Reduced:	BrNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	0.99
IP(EA), eV:	-9.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[hydroxy-[2-(methoxymethyl)phenyl]methyl]-4-methylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(CN)C(C)(C1=CC=CC=C1Br)O

DOS

IR

Vibrations