Geometry & MOs

Info

ID:	413448
PubChem CID:	135086397
Reduced:	BO2C21H31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	262.123189
ΔH_f, kcal/mol:	-170.74
Dipole, Da:	2.8
IP(EA), eV:	-8.67(0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-6-phenylpyridin-1-ium-3-ol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\C2=CC=C(C=C2)C)/C3CCCCC3

DOS

IR

Vibrations