Geometry & MOs

Info

ID:	207374
PubChem CID:	80388675
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	276.107419
ΔH_f, kcal/mol:	16.03
Dipole, Da:	5.52
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-aminophenyl)methyl]-2-(2,4-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)NCC2=CSC=C2C

DOS

IR

Vibrations