Geometry & MOs

Info

ID:	415580
PubChem CID:	135088576
Reduced:	FN3O5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-163.52
Dipole, Da:	6.05
IP(EA), eV:	-9.23(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3CCOC(C3)CCN)C(=O)O)F

DOS

IR

Vibrations