Geometry & MOs

Info

ID:	406727
PubChem CID:	135078455
Reduced:	O2S2C31H49 (2)
Stoich.:	A2B2C31D49 (2)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-266.68
Dipole, Da:	0.58
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4Z)-9-azabicyclo[6.1.0]non-4-en-9-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCCCCCC)C1=CC=C(S1)C2=CC=C(S2)C3(OCCO3)CCC4(OCCO4)C5=CC=C(S5)C6=CC=C(S6)C(CCCCCCCC)CCCCCCCCCC

DOS

IR

Vibrations