Geometry & MOs

Info

ID:	149599
PubChem CID:	53789273
Reduced:	O5C25H32 (1)
Stoich.:	A5B25C32 (1)
Weight, g/mol:	447.94563
ΔH_f, kcal/mol:	-174.13
Dipole, Da:	5.04
IP(EA), eV:	-9.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dibromoethenyl)-2-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-3,3-dimethyl-1-prop-2-ynylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC=CCCOC1=C(C2=C(C=C(C=C2)O)OC1=O)OCC=C(C)CCC=C(C)C

DOS

IR

Vibrations