Geometry & MOs

Info

ID:	25185
PubChem CID:	620833
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-79.32
Dipole, Da:	3.39
IP(EA), eV:	-9.05(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2-methylphenyl)-2-methyl-4-nitrobenzene

Drug info:

PubChemData

Smile

C1CC(=O)CC23C1C(CC4=C2C(=CC=C4)O)NCC3

DOS

IR

Vibrations