Geometry & MOs

Info

ID:	156313
PubChem CID:	56370054
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	3.11
IP(EA), eV:	-9.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CO3)C4=CN=CC=C4

DOS

IR

Vibrations