Geometry & MOs

Info

ID:	139835
PubChem CID:	52606307
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	448.205873
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	5.52
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[[2-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

DOS

IR

Vibrations