Geometry & MOs

Info

ID:	39158
PubChem CID:	8139813
Reduced:	ON2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	430.216438
ΔH_f, kcal/mol:	4.9
Dipole, Da:	2.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998919
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C)C

DOS

IR

Vibrations