Geometry & MOs

Info

ID:	221118
PubChem CID:	85256875
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	280.094688
ΔH_f, kcal/mol:	-154.15
Dipole, Da:	3.42
IP(EA), eV:	-9.29(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-3,4-dihydro-2H-1,5-benzodioxepin-4-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1CCC2C(C(=O)N(C3C24C1CCC(O3)(O4)C)C)C

DOS

IR

Vibrations