Geometry & MOs

Info

ID:	202929
PubChem CID:	79747262
Reduced:	BrFNCl2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	330.07316
ΔH_f, kcal/mol:	-15.78
Dipole, Da:	5.14
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C=C1)Cl)Cl)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations