Geometry & MOs

Info

ID:	292743
PubChem CID:	117357663
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-28.27
Dipole, Da:	5.37
IP(EA), eV:	-9.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-isocyanatocyclobutyl)-5-methyl-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CN1CC2=C(C1=O)C=C(C=C2)C3(CCC3)N=C=O

DOS

IR

Vibrations