Geometry & MOs

Info

ID:	198683
PubChem CID:	79135934
Reduced:	NOC17H35 (1)
Stoich.:	ABC17D35 (1)
Weight, g/mol:	325.04775
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	3.33
IP(EA), eV:	-9.33(2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-4-fluorophenyl)-hydroxymethyl]-4-methylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC(C(C)C)(C1(CCC(CC1)C(C)(C)C)CN)O

DOS

IR

Vibrations