Geometry & MOs

Info

ID:	209471
PubChem CID:	80677811
Reduced:	BrNOF3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	306.98196
ΔH_f, kcal/mol:	-159.98
Dipole, Da:	2.81
IP(EA), eV:	-9.82(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyrrolidin-1-yl)-(3,4,5-trifluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1Br)C(=O)C2=C(C=C(C=C2F)F)F

DOS

IR

Vibrations