Geometry & MOs

Info

ID:	194873
PubChem CID:	78600876
Reduced:	FN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	337.091922
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	7.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950144
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(2,4-difluorophenyl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(C2)C[NH2+]CC3=CC(=CC=C3)F

DOS

IR

Vibrations