Geometry & MOs

Info

ID:	401284
PubChem CID:	135050816
Reduced:	PN2O2H27C35 (1)
Stoich.:	AB2C2D27E35 (1)
Weight, g/mol:	401.066615
ΔH_f, kcal/mol:	98.09
Dipole, Da:	9.69
IP(EA), eV:	-7.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-(1-methyl-2,1-benzoxazol-1-ium-3-yl)ethenyl]naphthalen-2-ol;perchlorate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations