Geometry & MOs

Info

ID:	147218
PubChem CID:	53786872
Reduced:	N3O4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-18.4
Dipole, Da:	23.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892884
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropanoyloxy)ethenyl 2-methylpropanoate

Drug info:

PubChemData

Smile

C[N+](C)(CCCNC(=O)C1=CC=CC=C1)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations