Geometry & MOs

Info

ID:	73856
PubChem CID:	48420764
Reduced:	ClO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	411.073432
ΔH_f, kcal/mol:	12.7
Dipole, Da:	8.74
IP(EA), eV:	-9.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 6-nitro-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)C(=O)OC(CN2C=NC=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations