Geometry & MOs

Info

ID:	406045
PubChem CID:	135076336
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	-86.32
Dipole, Da:	5.27
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-[1-(2-bromophenyl)pyrrolidin-2-ylidene]propan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\CCCN1C2=C(C=C(C(=C2)C)C)Br

DOS

IR

Vibrations