Geometry & MOs

Info

ID:	187243
PubChem CID:	77549545
Reduced:	OCl2N2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	3.67
IP(EA), eV:	-8.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(2,3-dihydroxy-1-phenylpropyl)spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CNCC(C(C1=CC=CC=C1)N2C=CC3=C2C=CC=C3Cl)O.Cl

DOS

IR

Vibrations