Geometry & MOs

Info

ID:	422469
PubChem CID:	135117883
Reduced:	FSO2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	310.215747
ΔH_f, kcal/mol:	-22.82
Dipole, Da:	4.69
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C3=NC(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations