Geometry & MOs

Info

ID:	137296
PubChem CID:	52185150
Reduced:	ON3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	379.247107
ΔH_f, kcal/mol:	-8.92
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.169553
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N=CN(C2=O)CCC[NH3+]

DOS

IR

Vibrations