Geometry & MOs

Info

ID:	405564
PubChem CID:	135074467
Reduced:	BrNOH18C22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	427.03833
ΔH_f, kcal/mol:	127.03
Dipole, Da:	3.17
IP(EA), eV:	-9.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-bromo-2,3-bis(2-fluorophenyl)-N,N-bis(prop-2-ynyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C#CCN(CC#C)C(=O)C1([C@H]([C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)Br

DOS

IR

Vibrations