Geometry & MOs

Info

ID:	16612
PubChem CID:	473705
Reduced:	OCl2N4H22C27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	488.117067
ΔH_f, kcal/mol:	74.74
Dipole, Da:	5.55
IP(EA), eV:	-8.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3C=C(C(=NCCCO)C=C3N2C4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations