Geometry & MOs

Info

ID:	227319
PubChem CID:	87561226
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	36.71
Dipole, Da:	2.82
IP(EA), eV:	-8.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=CN(C=C2C=C1)C(=O)NC3=CC=C(C=C3)/C(=N/O)/N

DOS

IR

Vibrations