Geometry & MOs

Info

ID:	404879
PubChem CID:	135071555
Reduced:	BrFH10C13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	2.46
IP(EA), eV:	-9.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylprop-2-enyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C2=CC=CC=C2Br

DOS

IR

Vibrations