Geometry & MOs

Info

ID:	73760
PubChem CID:	48420335
Reduced:	SN4O4C13H14 (1)
Stoich.:	AB4C4D13E14 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	4.36
IP(EA), eV:	-9.48(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 2-(2-phenylindol-1-yl)acetate

Drug info:

PubChemData

Smile

CC(C(=O)OCCN1C=NC=N1)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations