Geometry & MOs

Info

ID:	306107
PubChem CID:	125001653
Reduced:	ClN3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	344.20124
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	5.9
IP(EA), eV:	-9.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C[C@@]1(CN(CCO1)C(=O)CCC2=CC(=NO2)Cl)C(=O)NC

DOS

IR

Vibrations