Geometry & MOs

Info

ID:	420823
PubChem CID:	135114891
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	330.137971
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	2.14
IP(EA), eV:	-9.31(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-3-methoxyphenyl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations