Geometry & MOs

Info

ID:	309109
PubChem CID:	126537346
Reduced:	FN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	437.290309
ΔH_f, kcal/mol:	-52.48
Dipole, Da:	8.2
IP(EA), eV:	-9.24(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[1-(1H-indol-3-yl)-5-methylhexan-2-yl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@](CN1C=CC2=C1C=CC=C2[N+](=O)[O-])(C(=O)NC3=CC(=C(C=C3)C#N)CF)O

DOS

IR

Vibrations