Geometry & MOs

Info

ID:	388246
PubChem CID:	134988641
Reduced:	N2O2C10H19 (1)
Stoich.:	A2B2C10D19 (1)
Weight, g/mol:	188.068473
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	3.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099578
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 4-O-methyl (Z)-2-hydroxy-3-methylbut-2-enedioate

Drug info:

PubChemData

Smile

CC(C)C1=[N+](C(C(N1[O])(C)C)(C)C)[O-]

DOS

IR

Vibrations