Geometry & MOs

Info

ID:	437223
PubChem CID:	135216208
Reduced:	FN3O3C28H32 (1)
Stoich.:	AB3C3D28E32 (1)
Weight, g/mol:	480.162741
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	5.41
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-chloro-5-(3,5-difluoro-4-methoxyphenyl)-4-(4,4-dimethylpiperidin-1-yl)-6-formylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1CC(=O)O)N2CCC(CC2)(C)C)C3=NC=C(C=C3)OCCC4=CC=CC=C4F

DOS

IR

Vibrations