Geometry & MOs

Info

ID:	137333
PubChem CID:	52191650
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	281.16876
ΔH_f, kcal/mol:	-1.03
Dipole, Da:	5.46
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N,5-dimethyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)CN(C)C

DOS

IR

Vibrations