Geometry & MOs

Info

ID:	411560
PubChem CID:	135084392
Reduced:	BrC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	2.38
IP(EA), eV:	-10.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-2-(2-methylprop-2-enyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1C2CC3CC1[C@@H](C(C2)C3Br)Br

DOS

IR

Vibrations