Geometry & MOs

Info

ID:	269814
PubChem CID:	103619171
Reduced:	FNC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	257.098669
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	2.1
IP(EA), eV:	-8.65(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NCC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations