Geometry & MOs

Info

ID:	347449
PubChem CID:	127272298
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	359.257277
ΔH_f, kcal/mol:	-52.92
Dipole, Da:	1.98
IP(EA), eV:	-8.91(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CCC(C2)NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations