Geometry & MOs

Info

ID:	216527
PubChem CID:	85086369
Reduced:	SN5H7C14 (1)
Stoich.:	AB5C7D14 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	192.53
Dipole, Da:	5.77
IP(EA), eV:	-9.32(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)N=C(C#N)C(C#N)C#N

DOS

IR

Vibrations