Geometry & MOs

Info

ID:	172763
PubChem CID:	75548869
Reduced:	ClN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	489.237604
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	8.11
IP(EA), eV:	-9.55(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-3,5-dien-7-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C=C(C=CC2=NC1=O)Cl)NCCC(C)C

DOS

IR

Vibrations