Geometry & MOs

Info

ID:	137833
PubChem CID:	52269855
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	395.219549
ΔH_f, kcal/mol:	-139.99
Dipole, Da:	5.27
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-[(2-pyrazol-1-ylpyridin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=CO2)C(=O)NC[C@@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations