Geometry & MOs

Info

ID:	314581
PubChem CID:	126622283
Reduced:	BrNC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	24.19
Dipole, Da:	4.65
IP(EA), eV:	-8.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-cyclopentylphenyl)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C(C=C(C=C2Br)Br)N=C1N

DOS

IR

Vibrations