Geometry & MOs

Info

ID:	329589
PubChem CID:	126738688
Reduced:	OSN4H16C20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	403.22712
ΔH_f, kcal/mol:	73.47
Dipole, Da:	2.79
IP(EA), eV:	-8.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[7-fluoro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)NC(=O)CSC4=NC=NN4

DOS

IR

Vibrations