Geometry & MOs

Info

ID:	151286
PubChem CID:	53790986
Reduced:	C6H11 (2)
Stoich.:	A6B11 (2)
Weight, g/mol:	621.23989
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	0.07
IP(EA), eV:	-9.46(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoropyridin-4-yl]oxy-3-(3-methyl-2,4-dihydroimidazol-2-yl)phenoxy]bicyclo[2.2.2]octane-2-carboxylate

Drug info:

PubChemData

Smile

CCCC=CC1CCC(CC1)C

DOS

IR

Vibrations