Geometry & MOs

Info

ID:	225813
PubChem CID:	87226402
Reduced:	F3N3O5C24H28 (1)
Stoich.:	A3B3C5D24E28 (1)
Weight, g/mol:	337.04661
ΔH_f, kcal/mol:	-327.86
Dipole, Da:	7.77
IP(EA), eV:	-9.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopropyl)indeno[1,2-h]isoquinoline

Drug info:

PubChemData

Smile

[3H]C1=CC(=CC(=C1OC(=O)C(F)(F)F)[3H])C[C@@](C)(C(=O)NCCC(C)C)N(CC2=CC=NC=C2)C(=O)O

DOS

IR

Vibrations