Geometry & MOs

Info

ID:	225190
PubChem CID:	85747869
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-97.95
Dipole, Da:	3.28
IP(EA), eV:	-8.55(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetyloxy-4-methylpentanoate

Drug info:

PubChemData

Smile

COCOC1=C(C=CC=C1OC)N

DOS

IR

Vibrations