Geometry & MOs

Info

ID:	416358
PubChem CID:	135089371
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-144.85
Dipole, Da:	6.25
IP(EA), eV:	-9.27(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(3-hydroxy-3-methylbutyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCC1=CC=C(O1)CN2CC[C@@H]([C@@](C2)(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations