Geometry & MOs

Info

ID:	390222
PubChem CID:	134997856
Reduced:	N2O6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-209.5
Dipole, Da:	5.83
IP(EA), eV:	-8.81(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methoxy-2-[(E)-N-methoxy-C-methylcarbonimidoyl]benzoate

Drug info:

PubChemData

Smile

CC1(C2(C=CN(C=C2)C(=O)OC)C(=O)N1CC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations