Geometry & MOs

Info

ID:	48247
PubChem CID:	10538242
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	75.08
Dipole, Da:	4.53
IP(EA), eV:	-9.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyloxy-3,3-dimethylbutan-2-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=C(C=CC=N2)[N+](=O)[O-])N

DOS

IR

Vibrations