Geometry & MOs

Info

ID:	30382
PubChem CID:	841232
Reduced:	ON3F4H13C14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-199.99
Dipole, Da:	1.43
IP(EA), eV:	-9.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3-methylphenyl)methylideneamino]-2-(2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CN2C(=CC(=N2)C(F)(F)F)C

DOS

IR

Vibrations