Geometry & MOs

Info

ID:	348399
PubChem CID:	127273492
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-150.77
Dipole, Da:	3.91
IP(EA), eV:	-9.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(6-pyrrolidin-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(CC1)C(=O)[C@H]2COCC(=O)N2CC3=CC=CC=C3

DOS

IR

Vibrations