Geometry & MOs

Info

ID:	1195
PubChem CID:	3971
Reduced:	N2O2H18C19 (1)
Stoich.:	A2B2C18D19 (1)
Weight, g/mol:	306.136828
ΔH_f, kcal/mol:	-7.86
Dipole, Da:	5.39
IP(EA), eV:	-9.15(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-phenyl-2-piperazin-1-ylchromen-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations