Geometry & MOs

Info

ID:	165939
PubChem CID:	74617267
Reduced:	N2O9H22C23 (1)
Stoich.:	A2B9C22D23 (1)
Weight, g/mol:	371.100502
ΔH_f, kcal/mol:	-218.76
Dipole, Da:	4.85
IP(EA), eV:	-8.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[(2-methoxy-5-nitrophenyl)methoxy]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations