Geometry & MOs

Info

ID:	186029
PubChem CID:	77381744
Reduced:	N3O4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	612.12862
ΔH_f, kcal/mol:	-124.36
Dipole, Da:	3.84
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-bis(3-bromopropyl)-2,8,12,17-tetramethyl-1,14,21,22,23,24-hexahydroporphyrin

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)N(N1)C2=CC=CC=C2CC(=O)O

DOS

IR

Vibrations