Geometry & MOs

Info

ID:	71565
PubChem CID:	48415052
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	377.191483
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	0.98
IP(EA), eV:	-8.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-but-3-ynylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)CCC#C)NC(=O)C2=CC=CO2

DOS

IR

Vibrations