Geometry & MOs

Info

ID:	414988
PubChem CID:	135087968
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	7.97
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-fluoro-4-methoxyphenyl)methylamino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)N1C=NC=C1CN2CCC(C2)(C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations