Geometry & MOs

Info

ID:	432161
PubChem CID:	135172293
Reduced:	I2N4H8C15 (1)
Stoich.:	A2B4C8D15 (1)
Weight, g/mol:	184.092186
ΔH_f, kcal/mol:	162.35
Dipole, Da:	2.77
IP(EA), eV:	-9.1(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-4-(4-methylpent-3-enyl)thietan-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=NC(=NC=N4)I)C=C(C=C3)I

DOS

IR

Vibrations