Geometry & MOs

Info

ID:	198617
PubChem CID:	79125509
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	253.165349
ΔH_f, kcal/mol:	-61.42
Dipole, Da:	1.75
IP(EA), eV:	-9.13(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-amino-2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)(C2(CCC(CC2)C(C)C)CN)O

DOS

IR

Vibrations