Geometry & MOs

Info

ID:	193992
PubChem CID:	78464611
Reduced:	FNO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	329.12681
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889023
Charge, e:	1

Chem-info

IUPAC name:

[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(oxolan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC(C[NH2+]CC1=CC=CO1)COC2=CC=C(C=C2)F

DOS

IR

Vibrations