Geometry & MOs

Info

ID:	199507
PubChem CID:	79256956
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	238.148141
ΔH_f, kcal/mol:	-135.74
Dipole, Da:	10.45
IP(EA), eV:	-9.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butylamino)-N-(3-fluorophenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=O)NC1=CC(=C(C=C1)C(=O)O)Cl

DOS

IR

Vibrations