Geometry & MOs

Info

ID:	73753
PubChem CID:	48420317
Reduced:	ON3C8H8 (2)
Stoich.:	AB3C8D8 (2)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	66.22
Dipole, Da:	9.72
IP(EA), eV:	-9.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 4-(ethoxycarbonylamino)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)/C=C/C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations