Geometry & MOs

Info

ID:	208096
PubChem CID:	80496087
Reduced:	ON7H11C12 (1)
Stoich.:	AB7C11D12 (1)
Weight, g/mol:	250.215747
ΔH_f, kcal/mol:	100.43
Dipole, Da:	4.9
IP(EA), eV:	-8.49(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylcyclohexyl)-(2H-triazol-4-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)N2C(=CC=N2)NC(=O)C3=NNN=C3

DOS

IR

Vibrations