Geometry & MOs

Info

ID:	280850
PubChem CID:	103851593
Reduced:	ON5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	232.10342
ΔH_f, kcal/mol:	46.13
Dipole, Da:	2.08
IP(EA), eV:	-9.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(thian-4-ylamino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNCCC2=NC(=NO2)C

DOS

IR

Vibrations