Geometry & MOs

Info

ID:	27375
PubChem CID:	821009
Reduced:	OSN2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	39.27
Dipole, Da:	3.86
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-4,5-dimethyl-3-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C(=O)NCC2=CC=CC=N2)SC3=CC=CC=C3

DOS

IR

Vibrations