Geometry & MOs

Info

ID:	329575
PubChem CID:	126738456
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-137.33
Dipole, Da:	1.61
IP(EA), eV:	-8.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1C2=C(CCN1C(=O)CNC(=O)OC(C)(C)C)C3=CC=CC=C3N2

DOS

IR

Vibrations