Geometry & MOs

Info

ID:	359274
PubChem CID:	127297870
Reduced:	ClN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-154.06
Dipole, Da:	4.48
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations