Geometry & MOs

Info

ID:	418784
PubChem CID:	135106795
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	6.24
IP(EA), eV:	-8.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-piperidin-4-yl-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC(=C(C=C3)OC)OCC#C

DOS

IR

Vibrations