Geometry & MOs

Info

ID:	443635
PubChem CID:	135259618
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	390.157957
ΔH_f, kcal/mol:	-160.84
Dipole, Da:	6.5
IP(EA), eV:	-8.45(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-methoxy-N-methyl-3-(2-pyrrol-1-ylethoxy)anilino]chromen-2-one

Drug info:

PubChemData

Smile

CC(C)(C)CCC(=O)OC1=C(C=CC(=C1)N(C)C2=CC(=O)OC3=CC=CC=C32)OC

DOS

IR

Vibrations