Geometry & MOs

Info

ID:	437238
PubChem CID:	135216614
Reduced:	O2N3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	493.21322
ΔH_f, kcal/mol:	-85.6
Dipole, Da:	8.33
IP(EA), eV:	-9.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[6-[(2-chloro-6-methylphenyl)methoxy]pyridin-3-yl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1CC(=O)O)N2CCC(CC2)(C)C)C3=CN=CC(=C3)CCC(C)C

DOS

IR

Vibrations