Geometry & MOs

Info

ID:	194874
PubChem CID:	78600877
Reduced:	ClOF2N2H16C17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	219.149738
ΔH_f, kcal/mol:	-34.88
Dipole, Da:	7.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.076649
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC=CC=C2Cl)C[NH2+]CC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations