Geometry & MOs

Info

ID:	408975
PubChem CID:	135081748
Reduced:	ClNOC24H32 (1)
Stoich.:	ABCD24E32 (1)
Weight, g/mol:	542.108455
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	5.2
IP(EA), eV:	-8.22(-0.82)
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=C2C(C)(C)C)C(C)(C)C)/C1=O)Cl

DOS

IR

Vibrations