Geometry & MOs

Info

ID:	122275
PubChem CID:	50800696
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	386.185509
ΔH_f, kcal/mol:	32.13
Dipole, Da:	4.53
IP(EA), eV:	-9.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=NC(=NN24)C5=CC=CC=C5

DOS

IR

Vibrations