Geometry & MOs

Info

ID:	347430
PubChem CID:	127272279
Reduced:	OS2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	383.200905
ΔH_f, kcal/mol:	19.69
Dipole, Da:	2.54
IP(EA), eV:	-9.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CS2)C(=O)NCC3=NC=CS3

DOS

IR

Vibrations