Geometry & MOs

Info

ID:	123569
PubChem CID:	50854365
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	330.113506
ΔH_f, kcal/mol:	13.87
Dipole, Da:	5.22
IP(EA), eV:	-7.82(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(1-cyclohexylpyrrol-3-yl)methylideneamino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=C2)C=NC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations