Geometry & MOs

Info

ID:	252815
PubChem CID:	103114337
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	5.45
Dipole, Da:	5.3
IP(EA), eV:	-10.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-pentan-3-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN2C(=C(N=N2)C(=O)OCC=C)C

DOS

IR

Vibrations