Geometry & MOs

Info

ID:	201482
PubChem CID:	79542678
Reduced:	N2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	274.125218
ΔH_f, kcal/mol:	53.3
Dipole, Da:	5.11
IP(EA), eV:	-8.72(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-propyltriazol-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CC=C(C=C2)CC)N

DOS

IR

Vibrations