Geometry & MOs

Info

ID:	196033
PubChem CID:	78768851
Reduced:	BrNOF2H14C17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	223.137242
ΔH_f, kcal/mol:	-70.63
Dipole, Da:	3.03
IP(EA), eV:	-9.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)C=CC2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations