Geometry & MOs

Info

ID:	347432
PubChem CID:	127272281
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	4.34
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC=C2CNC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations