Geometry & MOs

Info

ID:	360119
PubChem CID:	127300504
Reduced:	FON5C22H30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	394.180504
ΔH_f, kcal/mol:	-52.5
Dipole, Da:	3.09
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)NC3CCCN(C3)C4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations