Geometry & MOs

Info

ID:	293928
PubChem CID:	117416767
Reduced:	NO3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	5.89
IP(EA), eV:	-9.57(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=NO3)C(=O)O

DOS

IR

Vibrations