Geometry & MOs

Info

ID:	311290
PubChem CID:	126590272
Reduced:	FN2O4C34H41 (1)
Stoich.:	AB2C4D34E41 (1)
Weight, g/mol:	561.280298
ΔH_f, kcal/mol:	-190.74
Dipole, Da:	5.5
IP(EA), eV:	-8.29(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[5-[4-(benzylcarbamoyl)phenyl]-4-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2,6-dimethylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5(CCCO5)CC4)CC(=O)OC(C)C

DOS

IR

Vibrations