Geometry & MOs

Info

ID:	252457
PubChem CID:	103111523
Reduced:	SN4O4C9H16 (1)
Stoich.:	AB4C4D9E16 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-121.57
Dipole, Da:	2.83
IP(EA), eV:	-10.25(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-pentyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCS(=O)(=O)C)CN

DOS

IR

Vibrations