Geometry & MOs

Info

ID:	45538
PubChem CID:	10514629
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	248.076119
ΔH_f, kcal/mol:	-32.84
Dipole, Da:	3.3
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-diaminophenyl)-(3,5-difluorophenyl)methanone

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C2=CC=CC=N2)N(C(=O)N)O

DOS

IR

Vibrations