Geometry & MOs

Info

ID:	252404
PubChem CID:	103111135
Reduced:	O3N4C11H20 (1)
Stoich.:	A3B4C11D20 (1)
Weight, g/mol:	256.153541
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	4.61
IP(EA), eV:	-9.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(5-hydroxypentyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations