Geometry & MOs

Info

ID:	394047
PubChem CID:	135022213
Reduced:	SO2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	214.121846
ΔH_f, kcal/mol:	-56.91
Dipole, Da:	1.02
IP(EA), eV:	-8.24(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-methyl-N-phenyltriazol-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O/C(=C\SC)/C(CC=C)C1=CC=CC=C1

DOS

IR

Vibrations