Geometry & MOs

Info

ID:	408969
PubChem CID:	135081742
Reduced:	ClNOH24C28 (1)
Stoich.:	ABCD24E28 (1)
Weight, g/mol:	528.092805
ΔH_f, kcal/mol:	53.17
Dipole, Da:	3.85
IP(EA), eV:	-8.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C/C(=C/NC2=C(C=CC=C2C3=CC=CC=C3)C4=CC=CC=C4)/C1=O)Cl

DOS

IR

Vibrations