Geometry & MOs

Info

ID:	337309
PubChem CID:	127256991
Reduced:	O2F3N3C10H10 (1)
Stoich.:	A2B3C3D10E10 (1)
Weight, g/mol:	275.088161
ΔH_f, kcal/mol:	-168.79
Dipole, Da:	3.42
IP(EA), eV:	-10.13(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4E)-4-hydroxyiminobutyl]-4-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN=CC(=C1C(F)(F)F)C(=O)NCC/C=N/O

DOS

IR

Vibrations