Geometry & MOs

Info

ID:	252439
PubChem CID:	103111419
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	272.148455
ΔH_f, kcal/mol:	-95.37
Dipole, Da:	4.07
IP(EA), eV:	-8.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CN2C(=O)CC3(C2=O)CCCCC3

DOS

IR

Vibrations