Geometry & MOs

Info

ID:	360999
PubChem CID:	127301863
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	380.129611
ΔH_f, kcal/mol:	0.76
Dipole, Da:	5.55
IP(EA), eV:	-8.95(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC2=C1C=NN2C)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations