Geometry & MOs

Info

ID:	205897
PubChem CID:	80173887
Reduced:	FON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	342.0743
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	5.27
IP(EA), eV:	-8.97(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-bromo-4-fluorophenyl)-(3,3-diethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)C2=C(C=C(C=C2)N)F)CC

DOS

IR

Vibrations