Geometry & MOs

Info

ID:	83618
PubChem CID:	49859066
Reduced:	O2N3C28H41 (1)
Stoich.:	A2B3C28D41 (1)
Weight, g/mol:	347.152144
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	2.22
IP(EA), eV:	-8.64(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3'S)-3'-(phenoxymethyl)spiro[1H-indole-3,1'-4,5,6,7-tetrahydro-3H-cyclopenta[c]pyran]-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CCCCN2C[C@H](C)ON=C[C@@H](C)[C@@H](C(C)C)OCC3=CC=CC=C3)N=C1C

DOS

IR

Vibrations