Geometry & MOs

Info

ID:	276231
PubChem CID:	103821448
Reduced:	ClSO2N3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-6.67
Dipole, Da:	4.12
IP(EA), eV:	-8.84(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclohexyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CCSC1CCC(C1)NC2=C(C=C(C=N2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations