Geometry & MOs

Info

ID:	347378
PubChem CID:	127272227
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-61.92
Dipole, Da:	3.39
IP(EA), eV:	-8.6(0.17)
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-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations