Geometry & MOs

Info

ID:	11203
PubChem CID:	111820
Reduced:	N2C21H29 (2)
Stoich.:	A2B21C29 (2)
Weight, g/mol:	618.466148
ΔH_f, kcal/mol:	118.27
Dipole, Da:	3.68
IP(EA), eV:	-8.05(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-henicosyl-13-methyl-21,22-dihydroporphyrin

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC1=C(C2=NC1=CC3=CC=C(N3)C=C4C=CC(=CC5=NC(=C2)C=C5)N4)C

DOS

IR

Vibrations