Geometry & MOs

Info

ID:	144962
PubChem CID:	53439874
Reduced:	ClNOH2C4 (2)
Stoich.:	ABCD2E4 (2)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	6.94
Dipole, Da:	5.4
IP(EA), eV:	-9.34(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-3,6-dimethylphenyl)imino-2-methylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C(C(=O)N=C21)NO)Cl)Cl

DOS

IR

Vibrations