Geometry & MOs

Info

ID:	122464
PubChem CID:	50807720
Reduced:	SN3O3C27H33 (1)
Stoich.:	AB3C3D27E33 (1)
Weight, g/mol:	409.19209
ΔH_f, kcal/mol:	-82.04
Dipole, Da:	8.26
IP(EA), eV:	-8.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C3=CC=CC=C3C=C2CN4CCC(CC4)C(=O)NC5CCS(=O)(=O)C5

DOS

IR

Vibrations