Geometry & MOs

Info

ID:	204426
PubChem CID:	79964432
Reduced:	ClN2F3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-146.17
Dipole, Da:	1.78
IP(EA), eV:	-10.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine

Drug info:

PubChemData

Smile

C1=CN=C(N=C1CCl)CCC(F)(F)F

DOS

IR

Vibrations