Geometry & MOs

Info

ID:	197417
PubChem CID:	78965636
Reduced:	OSN4H10C12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	253.085127
ΔH_f, kcal/mol:	44.42
Dipole, Da:	5.42
IP(EA), eV:	-8.81(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC2=C(C=C(C=C2)C#N)N

DOS

IR

Vibrations