Geometry & MOs

Info

ID:	209468
PubChem CID:	80677618
Reduced:	BrFNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	293.04153
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	6.55
IP(EA), eV:	-9.34(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyrrolidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCC(C2)Br)F

DOS

IR

Vibrations