Geometry & MOs

Info

ID:	252482
PubChem CID:	103111711
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	266.083747
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	2.21
IP(EA), eV:	-8.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(thiophen-3-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC=CN(C1=O)C

DOS

IR

Vibrations