Geometry & MOs

Info

ID:	201383
PubChem CID:	79531096
Reduced:	ON6C9H14 (1)
Stoich.:	AB6C9D14 (1)
Weight, g/mol:	264.023645
ΔH_f, kcal/mol:	70.05
Dipole, Da:	4.58
IP(EA), eV:	-9.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chloro-1-benzothiophen-2-yl)methyl]triazol-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CN2C=C(N=N2)N

DOS

IR

Vibrations