Geometry & MOs

Info

ID:	335121
PubChem CID:	127253982
Reduced:	N2O7H20C22 (1)
Stoich.:	A2B7C20D22 (1)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-194.34
Dipole, Da:	5.18
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-pyridin-4-ylpropanoate

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)/C=C/C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations