Geometry & MOs

Info

ID:	252505
PubChem CID:	103111827
Reduced:	N4O4C13H22 (1)
Stoich.:	A4B4C13D22 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-134.93
Dipole, Da:	3.76
IP(EA), eV:	-9.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-1-octyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1C(=C(N=N1)C(=O)OCCOC)C

DOS

IR

Vibrations