Geometry & MOs

Info

ID:	79173
PubChem CID:	49747224
Reduced:	FO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	424.191069
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	4.46
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)/C=C/C3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations