Geometry & MOs

Info

ID:	437237
PubChem CID:	135216610
Reduced:	FO3N6C25H33 (1)
Stoich.:	AB3C6D25E33 (1)
Weight, g/mol:	409.272927
ΔH_f, kcal/mol:	-118.06
Dipole, Da:	5.6
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[5-(3-methylbutyl)pyridin-3-yl]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1CC(=O)O)N2CCC(CC2)(C)C)/C(=N/N=C(\N)/OCCC3=CC=C(C=C3)F)/N

DOS

IR

Vibrations