Geometry & MOs

Info

ID:	268701
PubChem CID:	103600517
Reduced:	F2N3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	255.143471
ΔH_f, kcal/mol:	-112.49
Dipole, Da:	5.64
IP(EA), eV:	-9.53(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butylphenyl)methyl]-2,2-difluoro-N-methylacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)C(F)F

DOS

IR

Vibrations