Geometry & MOs

Info

ID:	161094
PubChem CID:	57390742
Reduced:	NSO3C25H31 (1)
Stoich.:	ABC3D25E31 (1)
Weight, g/mol:	345.20819
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	5.84
IP(EA), eV:	-8.65(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-9-(2-(18F)fluoranylethyl)-6-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)O)C

DOS

IR

Vibrations