Geometry & MOs

Info

ID:	253470
PubChem CID:	103118652
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	343.99426
ΔH_f, kcal/mol:	63.6
Dipole, Da:	6.06
IP(EA), eV:	-8.04(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(5-bromothiophen-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C2=C(NN=C2N)C3=NN(C=C3)C

DOS

IR

Vibrations