Geometry & MOs

Info

ID:	257202
PubChem CID:	103144360
Reduced:	BrON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	4.62
Dipole, Da:	1.9
IP(EA), eV:	-7.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=NC=C(C=C2)Br)C)N

DOS

IR

Vibrations