Geometry & MOs

Info

ID:	356726
PubChem CID:	127292207
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-135.05
Dipole, Da:	4.74
IP(EA), eV:	-9.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CCCN(CC1CCCCO1)C(=O)NC2CCN(CC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations