Geometry & MOs

Info

ID:	225122
PubChem CID:	85741862
Reduced:	NO3H29C30 (1)
Stoich.:	AB3C29D30 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-27.27
Dipole, Da:	2.1
IP(EA), eV:	-9.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-3-(4-methyl-5-oxopent-3-enyl)oxiran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CN(C(CO)C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations