Geometry & MOs

Info

ID:	192283
PubChem CID:	78252456
Reduced:	FSN2O4H19C24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	362.198085
ΔH_f, kcal/mol:	-118.34
Dipole, Da:	5.95
IP(EA), eV:	-9.08(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(3-imidazolidin-1-ium-1-ylpropylamino)-2-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=CC=C4)O)C5=NC6=C(S5)C=C(C=C6)F

DOS

IR

Vibrations