Geometry & MOs

Info

ID:	161710
PubChem CID:	57392400
Reduced:	SN3O5C27H31 (1)
Stoich.:	AB3C5D27E31 (1)
Weight, g/mol:	274.240899
ΔH_f, kcal/mol:	-186.76
Dipole, Da:	3.75
IP(EA), eV:	-8.84(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,3-dimethylpiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1H-indole

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1NC(=O)[C@H](COC(C)(C)C)NC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations