Geometry & MOs

Info

ID:	73761
PubChem CID:	48420337
Reduced:	ON2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	35.68
Dipole, Da:	5.82
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(=O)OCCN4C=NC=N4

DOS

IR

Vibrations