Geometry & MOs

Info

ID:	329739
PubChem CID:	127246606
Reduced:	FON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-19.44
Dipole, Da:	5.36
IP(EA), eV:	-9.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations