Geometry & MOs

Info

ID:	297704
PubChem CID:	117626435
Reduced:	O4N5C24H37 (1)
Stoich.:	A4B5C24D37 (1)
Weight, g/mol:	424.215078
ΔH_f, kcal/mol:	-126.9
Dipole, Da:	6.2
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-4-phenyl-6-[4-(piperazin-1-ylmethyl)phenyl]chromen-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=C(N2C(=CC(=N2)N)N=C1C)N3CCC(CC3)(C)OCC=C)OC(C)(C)C

DOS

IR

Vibrations