Geometry & MOs

Info

ID:	363889
PubChem CID:	127313546
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	5.59
IP(EA), eV:	-8.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3CC4=CC=CC=C4S3

DOS

IR

Vibrations