Geometry & MOs

Info

ID:	296805
PubChem CID:	117594007
Reduced:	NO9C37H37 (1)
Stoich.:	AB9C37D37 (1)
Weight, g/mol:	605.233286
ΔH_f, kcal/mol:	-232.9
Dipole, Da:	4.27
IP(EA), eV:	-8.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-2-phenylchromen-4-one;3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5.C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

DOS

IR

Vibrations