Geometry & MOs

Info

ID:	420306
PubChem CID:	135112370
Reduced:	FN3O5C18H20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-185.19
Dipole, Da:	5.21
IP(EA), eV:	-9.33(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC(=O)NC1CCCN(C1)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations