Geometry & MOs

Info

ID:	398988
PubChem CID:	135036786
Reduced:	N2O4C12H17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	192.063388
ΔH_f, kcal/mol:	-130.44
Dipole, Da:	6.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758536
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-(1-hydroxy-3-oxopropan-2-yl)oxy-3-methoxypropanal

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/CC1CCCC(=O)C1)\O)/[N+]#N

DOS

IR

Vibrations