Geometry & MOs

Info

ID:	280944
PubChem CID:	103852093
Reduced:	ON2F3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	291.083019
ΔH_f, kcal/mol:	-145.59
Dipole, Da:	2.53
IP(EA), eV:	-8.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)N)NCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations