Geometry & MOs

Info

ID:	370081
PubChem CID:	127337382
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-6.98
Dipole, Da:	5.99
IP(EA), eV:	-8.44(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzothiophen-3-ylmethyl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations