Geometry & MOs

Info

ID:	71409
PubChem CID:	48414807
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	5.66
IP(EA), eV:	-8.67(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-but-3-ynylpiperazine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC#C)OCC

DOS

IR

Vibrations