Geometry & MOs

Info

ID:	85626
PubChem CID:	49877763
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	458.187339
ΔH_f, kcal/mol:	-49.6
Dipole, Da:	4.18
IP(EA), eV:	-8.28(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-methyl-3-[piperidin-1-yl(pyridin-2-yl)methyl]-1H-indol-5-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C(C3=C(S2)N=CC=C3)N4C(=CC=C4C)C)OCC

DOS

IR

Vibrations