Geometry & MOs

Info

ID:	285338
PubChem CID:	104099944
Reduced:	N4O5C12H12 (1)
Stoich.:	A4B5C12D12 (1)
Weight, g/mol:	290.087827
ΔH_f, kcal/mol:	-72.93
Dipole, Da:	6.67
IP(EA), eV:	-9.09(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3,3-difluoro-2-hydroxypropyl)amino]-2-oxoethyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=NNC(=O)CC2)[N+](=O)[O-]

DOS

IR

Vibrations