Geometry & MOs

Info

ID:	163900
PubChem CID:	74380677
Reduced:	O2F3N4H27C29 (1)
Stoich.:	A2B3C4D27E29 (1)
Weight, g/mol:	362.091246
ΔH_f, kcal/mol:	-126.39
Dipole, Da:	6.03
IP(EA), eV:	-9.21(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-chloro-5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyridin-2-yl]amino]ethyl]-2-methylpropanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C1=CN=C(C=C1)C2CC2)NC3CC(N(C3=O)C4=CC=C(C=C4)OC(F)(F)F)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations