Geometry & MOs

Info

ID:	252830
PubChem CID:	103114399
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-9.59
Dipole, Da:	4.6
IP(EA), eV:	-9.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations