Geometry & MOs

Info

ID:	161316
PubChem CID:	57391324
Reduced:	O2N5H29C36 (1)
Stoich.:	A2B5C29D36 (1)
Weight, g/mol:	540.227374
ΔH_f, kcal/mol:	130.06
Dipole, Da:	4.36
IP(EA), eV:	-8.21(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-cyanopyridin-3-yl)-N-(4-piperazin-1-ylphenyl)-N-[(2-pyridin-3-ylphenyl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC=C(C=C2)N(CC3=CC=CC=C3C4=CC=C(C=C4)C#N)C(=O)C5=CC=C(O5)C6=CC=C(C=C6)C#N

DOS

IR

Vibrations