Geometry & MOs

Info

ID:	280151
PubChem CID:	103847235
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	148.088815
ΔH_f, kcal/mol:	-140.18
Dipole, Da:	8.71
IP(EA), eV:	-9.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexen-1-yl)but-3-yn-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2)Br

DOS

IR

Vibrations