Geometry & MOs

Info

ID:	209501
PubChem CID:	80680676
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	5.82
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNCC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations