Geometry & MOs

Info

ID:	43113
PubChem CID:	10318637
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	397.102785
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	7.8
IP(EA), eV:	-8.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(4-chlorophenyl)ethenyl]-2-methyl-5-(4-methylphenyl)-1,2-oxazol-2-ium;tetrafluoroborate

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(N=C1NC2CCCC2)NC3=NC=C(C=C3)N4CCNCC4

DOS

IR

Vibrations