Geometry & MOs

Info

ID:	329182
PubChem CID:	126731544
Reduced:	OSF2N6C18H20 (1)
Stoich.:	ABC2D6E18F20 (1)
Weight, g/mol:	327.115381
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	4.23
IP(EA), eV:	-8.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]-1-pyrimidin-2-ylmethanamine

Drug info:

PubChemData

Smile

CC(C)NC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=CC(=C3F)NSN(C)C)F

DOS

IR

Vibrations