Geometry & MOs

Info

ID:	439745
PubChem CID:	135229565
Reduced:	NOH45C66 (1)
Stoich.:	ABC45D66 (1)
Weight, g/mol:	170.073476
ΔH_f, kcal/mol:	218.67
Dipole, Da:	1.24
IP(EA), eV:	-8.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

hydroxy-dimethyl-(5-methylpyridin-3-yl)phosphanium

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC=CC(=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations