Geometry & MOs

Info

ID:	82478
PubChem CID:	49856082
Reduced:	NI3O4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	3.06
IP(EA), eV:	-8.92(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O

DOS

IR

Vibrations