Geometry & MOs

Info

ID:	415266
PubChem CID:	135088258
Reduced:	NF2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-225.35
Dipole, Da:	8.39
IP(EA), eV:	-9.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)F)F)CN2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations