Geometry & MOs

Info

ID:	396329
PubChem CID:	135028068
Reduced:	OSN3H25C26 (1)
Stoich.:	ABC3D25E26 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	63.19
Dipole, Da:	5.11
IP(EA), eV:	-8.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3-phenyloxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NC2C(N(C2=O)C3=CC=C(C=C3)C)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations