Geometry & MOs

Info

ID:	21963
PubChem CID:	594396
Reduced:	NOH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	159.068414
ΔH_f, kcal/mol:	25.94
Dipole, Da:	5.98
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilinocyclobut-2-en-1-one

Drug info:

PubChemData

Smile

C1C(=CC1=O)NC2=CC=CC=C2

DOS

IR

Vibrations