Geometry & MOs

Info

ID:	204969
PubChem CID:	80037813
Reduced:	ClN5H12C13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	298.129298
ΔH_f, kcal/mol:	97.52
Dipole, Da:	2.68
IP(EA), eV:	-8.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-hydroxycyclohexyl)methylamino]-5-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCNC2=NN3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations