Geometry & MOs

Info

ID:	430470
PubChem CID:	135170534
Reduced:	ClSN2C6H7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	48.07
Dipole, Da:	2.44
IP(EA), eV:	-9.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-(4-propan-2-ylphenyl)-1,2-dihydrotriazole

Drug info:

PubChemData

Smile

CC1=NC(=NS1)C2(CC2)Cl

DOS

IR

Vibrations