Geometry & MOs

Info

ID:	390750
PubChem CID:	135000744
Reduced:	CoP3F7C16H30 (1)
Stoich.:	AB3C7D16E30 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-577.09
Dipole, Da:	0.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997176
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(5-methoxy-1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

C[PH+](C)C.C[PH+](C)C.C[PH+](C)C.[C-]1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F.[Co]

DOS

IR

Vibrations