Geometry & MOs

Info

ID:	297164
PubChem CID:	117611232
Reduced:	FO3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-78.83
Dipole, Da:	5.75
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)amino]phenyl]carbamate

Drug info:

PubChemData

Smile

C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)C=C4N3C5(CCC5)CNC4=O)F

DOS

IR

Vibrations