Geometry & MOs

Info

ID:	312071
PubChem CID:	126602363
Reduced:	BrClNOF2H19C24 (1)
Stoich.:	ABCDE2F19G24 (1)
Weight, g/mol:	365.00384
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	3.74
IP(EA), eV:	-9.54(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-bromo-3-(trifluoromethyl)phenyl]cyclopropyl]-(3-fluoroazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)Br)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations