Geometry & MOs

Info

ID:	297956
PubChem CID:	117636656
Reduced:	SO2F3N8C35H43 (1)
Stoich.:	AB2C3D8E35F43 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-170.85
Dipole, Da:	2.29
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(2-cyano-5-formyl-4-methylindol-1-yl)ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C=C(N2CCN3CCN(CC3)C(=O)OC(C)(C)C)C#N)CN4CCC(CC4)NC5=C6C=C(SC6=NC=N5)CC(F)(F)F

DOS

IR

Vibrations