Geometry & MOs

Info

ID:	185517
PubChem CID:	77308969
Reduced:	SN3O4C30H31 (1)
Stoich.:	AB3C4D30E31 (1)
Weight, g/mol:	401.160515
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	8.54
IP(EA), eV:	-8.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)C2=C(SC3=C2C=CC(=O)N3C4=CC=CC=C4)NC5CCN(C5)C(=O)OC(C)(C)C

DOS

IR

Vibrations