Geometry & MOs

Info

ID:	175332
PubChem CID:	75884317
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	356.179659
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	5.52
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC(=O)CN2C(=O)C(N(C2=O)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations