Geometry & MOs

Info

ID:	226598
PubChem CID:	87544329
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-152.33
Dipole, Da:	6.84
IP(EA), eV:	-8.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonic acid;3,4,7-trimethyl-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C2C(=C(NC2=C(C=C1)C)C(=O)N[C@@H]3CCCN(C3)C)C

DOS

IR

Vibrations