Geometry & MOs

Info

ID:	293605
PubChem CID:	117394187
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	4.71
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-isocyanatocyclobutyl)-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=O)CCC2=C1C(=CC=C2)C3(CCC3)N=C=O

DOS

IR

Vibrations