Geometry & MOs

Info

ID:	420275
PubChem CID:	135112182
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	352.160935
ΔH_f, kcal/mol:	-90.3
Dipole, Da:	2.84
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1SCC(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations