Geometry & MOs

Info

ID:	347390
PubChem CID:	127272239
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-127.76
Dipole, Da:	5.15
IP(EA), eV:	-8.53(-0.14)
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-(2-methyl-2-piperidin-1-ylpropyl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O)N4CCOCC4

DOS

IR

Vibrations