Geometry & MOs

Info

ID:	293627
PubChem CID:	117394628
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	66.25
Dipole, Da:	5.47
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(triazol-1-yl)phenyl]cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)CN3CCNCC3

DOS

IR

Vibrations