Geometry & MOs

Info

ID:	370144
PubChem CID:	127337517
Reduced:	ClON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	372.171689
ΔH_f, kcal/mol:	-1.27
Dipole, Da:	4.65
IP(EA), eV:	-8.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CCC4=C3C=CC=C4Cl

DOS

IR

Vibrations