Geometry & MOs

Info

ID:	138719
PubChem CID:	52415222
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	1.37
IP(EA), eV:	-8.79(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-3-[(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]urea

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations