Geometry & MOs

Info

ID:	296712
PubChem CID:	117589547
Reduced:	N5O5C13H15 (1)
Stoich.:	A5B5C13D15 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-47.05
Dipole, Da:	2.78
IP(EA), eV:	-9.27(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-5-(prop-2-enylamino)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCO)C1=NN(N=C1C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations