Geometry & MOs

Info

ID:	207460
PubChem CID:	80398572
Reduced:	ON3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	4.59
IP(EA), eV:	-9.04(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexylethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

Drug info:

PubChemData

Smile

CNCCCN(C)C(=O)NC1CC1

DOS

IR

Vibrations