Geometry & MOs

Info

ID:	293604
PubChem CID:	117394185
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-23.28
Dipole, Da:	3.6
IP(EA), eV:	-9.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-isocyanatocyclobutyl)-1-methyl-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC1COC(=N1)C2=CC=C(C=C2)C3(CCC3)N=C=O

DOS

IR

Vibrations