Geometry & MOs

Info

ID:	252817
PubChem CID:	103114347
Reduced:	FO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-48.34
Dipole, Da:	6.29
IP(EA), eV:	-9.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 5-methyl-1-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations