Geometry & MOs

Info

ID:	171988
PubChem CID:	75450257
Reduced:	ClSN2F3O3H10C11 (1)
Stoich.:	ABC2D3E3F10G11 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-211.52
Dipole, Da:	4.48
IP(EA), eV:	-8.99(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CC(=NO1)NS(=O)(=O)C2=C(C=CC=C2Cl)C(F)(F)F

DOS

IR

Vibrations