Geometry & MOs

Info

ID:	298859
PubChem CID:	117661845
Reduced:	SN3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	459.101751
ΔH_f, kcal/mol:	31.08
Dipole, Da:	5.68
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-4-yl-21,22-dihydroporphyrin;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC=CC=N1)C(=S)N

DOS

IR

Vibrations