Geometry & MOs

Info

ID:	293628
PubChem CID:	117394635
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	67.51
Dipole, Da:	4.43
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(triazol-2-yl)phenyl]cyclohexyl]methanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CN)C2=CC=C(C=C2)N3C=CN=N3

DOS

IR

Vibrations