Geometry & MOs

Info

ID:	336204
PubChem CID:	127255211
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	5.18
IP(EA), eV:	-8.3(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC4=C(N3)C=CC=C4OC

DOS

IR

Vibrations