Geometry & MOs

Info

ID:	253047
PubChem CID:	103115704
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	20.96
Dipole, Da:	2.61
IP(EA), eV:	-9.19(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-hydroxypropyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1CN(CCC1NC)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations