Geometry & MOs

Info

ID:	173700
PubChem CID:	75671172
Reduced:	O2N4C25H41 (1)
Stoich.:	A2B4C25D41 (1)
Weight, g/mol:	291.150881
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	3.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754137
Charge, e:	1

Chem-info

IUPAC name:

(4-fluorophenyl)methyl-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CCN(C)CC2=CC(=CC=C2)OCC(C[NH+](C)C3CCCCC3)O

DOS

IR

Vibrations