Geometry & MOs

Info

ID:	200950
PubChem CID:	79466007
Reduced:	NOC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	284.113648
ΔH_f, kcal/mol:	-82.28
Dipole, Da:	2.96
IP(EA), eV:	-9.22(2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CCC(C)OC1CCCC(C1)N

DOS

IR

Vibrations