Geometry & MOs

Info

ID:	312678
PubChem CID:	126607288
Reduced:	OCl2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-2.73
Dipole, Da:	8.31
IP(EA), eV:	-9.07(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-cyclobutyl-2-[2-(methylideneamino)anilino]piperidin-4-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCC(C[C@@H]1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations