Geometry & MOs

Info

ID:	261508
PubChem CID:	103237060
Reduced:	F2N3O3H11C13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	245.097583
ΔH_f, kcal/mol:	-157.4
Dipole, Da:	4.32
IP(EA), eV:	-8.74(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2-(difluoromethoxy)anilino]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=NC=NC=C2C(=O)O)OC(F)F

DOS

IR

Vibrations