Geometry & MOs

Info

ID:	202790
PubChem CID:	79726387
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	-206.61
Dipole, Da:	7.16
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2-phenyltriazol-4-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)O)NC(=O)C1=CC(=C(C=C1)OC)O

DOS

IR

Vibrations