Geometry & MOs

Info

ID:	338650
PubChem CID:	127259661
Reduced:	ON5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	323.109233
ΔH_f, kcal/mol:	41.18
Dipole, Da:	3.79
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(1-cyanoethyl)phenyl]-methylcarbamothioyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N=CNN=C(N)N

DOS

IR

Vibrations