Geometry & MOs

Info

ID:	329743
PubChem CID:	127246610
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-84.03
Dipole, Da:	6.2
IP(EA), eV:	-9.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC(=O)N(C(=O)N3C)C

DOS

IR

Vibrations