Geometry & MOs

Info

ID:	365254
PubChem CID:	127317599
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	337.160183
ΔH_f, kcal/mol:	-70.82
Dipole, Da:	2.46
IP(EA), eV:	-8.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3CCC3)C

DOS

IR

Vibrations