Geometry & MOs

Info

ID:	25468
PubChem CID:	625397
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	286.077599
ΔH_f, kcal/mol:	-99.59
Dipole, Da:	8.57
IP(EA), eV:	-8.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-1-(4-methylsulfanylphenyl)methanimine

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=CC(=C(C=C2N1)OC)OC)CC=C(C)CCC=C(C)C

DOS

IR

Vibrations