Geometry & MOs

Info

ID:	160898
PubChem CID:	57390171
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-173.64
Dipole, Da:	5.56
IP(EA), eV:	-8.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-6-methoxy-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OCCN4CCOCC4

DOS

IR

Vibrations