Geometry & MOs

Info

ID:	224374
PubChem CID:	85342192
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	380.147118
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	1.21
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-6-(4-methylphenoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=N2)NC(CO)C(=O)OC

DOS

IR

Vibrations