Geometry & MOs

Info

ID:	146291
PubChem CID:	53664935
Reduced:	OC18H18 (1)
Stoich.:	AB18C18 (1)
Weight, g/mol:	542.07203
ΔH_f, kcal/mol:	11.08
Dipole, Da:	3.11
IP(EA), eV:	-9.33(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-bromo-5-[(2-butan-2-yl-4-chloro-5-formylimidazol-1-yl)methyl]indazol-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)C=CCC2=CC=CC=C2

DOS

IR

Vibrations