Geometry & MOs

Info

ID:	202831
PubChem CID:	79732353
Reduced:	N2O4H10C13 (1)
Stoich.:	A2B4C10D13 (1)
Weight, g/mol:	261.09652
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	4.45
IP(EA), eV:	-9.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=NO2)C3=COC=C3)O

DOS

IR

Vibrations