Geometry & MOs

Info

ID:	209955
PubChem CID:	80743115
Reduced:	FOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	2.95
IP(EA), eV:	-8.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(3-nitro-5-propan-2-yloxyanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1(CCCS1)CNC2=C(C=C(C(=C2)C(=O)N)N)F

DOS

IR

Vibrations