Geometry & MOs

Info

ID:	190080
PubChem CID:	77951006
Reduced:	FN3O4C27H30 (1)
Stoich.:	AB3C4D27E30 (1)
Weight, g/mol:	297.98407
ΔH_f, kcal/mol:	-174.58
Dipole, Da:	5.05
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-3-hydroxy-1-(4-methyl-1,3-dioxetan-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)NC(=O)OC2CCOC2)C(=O)N3CCC(CC3)(C4=CC=C(C=C4)C#N)F

DOS

IR

Vibrations