Geometry & MOs

Info

ID:	436615
PubChem CID:	135206127
Reduced:	NPC7H17 (1)
Stoich.:	ABC7D17 (1)
Weight, g/mol:	497.325357
ΔH_f, kcal/mol:	-13.67
Dipole, Da:	0.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758660
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-(6-pentoxypyridin-3-yl)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

C[P+]1(CCCCC1)CN

DOS

IR

Vibrations