Geometry & MOs

Info

ID:	20798
PubChem CID:	585755
Reduced:	NO6C16H23 (1)
Stoich.:	AB6C16D23 (1)
Weight, g/mol:	325.152537
ΔH_f, kcal/mol:	-177.78
Dipole, Da:	6.74
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethoxy-2-nitrophenyl)methyl heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC

DOS

IR

Vibrations