Geometry & MOs

Info

ID:	225850
PubChem CID:	87235690
Reduced:	NPO3C39H79 (1)
Stoich.:	ABC3D39E79 (1)
Weight, g/mol:	369.105981
ΔH_f, kcal/mol:	-252.78
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751756
Charge, e:	0

Chem-info

IUPAC name:

oxiran-2-ylmethyl 2-[2-methoxy-4-[methoxy(oxiran-2-yl)methyl]-5-nitrophenoxy]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)OPC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations