Geometry & MOs

Info

ID:	363730
PubChem CID:	127313360
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	394.10044
ΔH_f, kcal/mol:	-68.05
Dipole, Da:	3.78
IP(EA), eV:	-8.77(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations