Geometry & MOs

Info

ID:	56834
PubChem CID:	22394324
Reduced:	SN2O3C6H12 (1)
Stoich.:	AB2C3D6E12 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-123.21
Dipole, Da:	4.37
IP(EA), eV:	-9.69(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[4-(propan-2-ylamino)piperidine-1-carbonyl]indol-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C(=O)N

DOS

IR

Vibrations