Geometry & MOs

Info

ID:	363832
PubChem CID:	127313489
Reduced:	ClN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-127.2
Dipole, Da:	5.63
IP(EA), eV:	-8.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations