Geometry & MOs

Info

ID:	426021
PubChem CID:	135134902
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	7.81
IP(EA), eV:	-8.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-oxido-5-oxophenazin-5-ium-2-yl) 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2C=CC4=CC(=O)CC[C@@]34C)C

DOS

IR

Vibrations