Geometry & MOs

Info

ID:	427087
PubChem CID:	135155401
Reduced:	ClN2O2C22H29 (1)
Stoich.:	AB2C2D22E29 (1)
Weight, g/mol:	290.143056
ΔH_f, kcal/mol:	-68.54
Dipole, Da:	3.43
IP(EA), eV:	-8.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C1)C(=NC3=CC(=C(C=C23)OC)OCCCN4CCCC4)Cl)C

DOS

IR

Vibrations