Geometry & MOs

Info

ID:	426409
PubChem CID:	135143926
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	451.199488
ΔH_f, kcal/mol:	-196.89
Dipole, Da:	2.31
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-3,5-dimethylphenyl]-4-oxochromene-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC[C@@H](CNC)O)C)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC

DOS

IR

Vibrations