Geometry & MOs

Info

ID:	292238
PubChem CID:	114540575
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-32.1
Dipole, Da:	3.96
IP(EA), eV:	-9.25(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(methylamino)-N-(3-methylcyclopentyl)benzamide

Drug info:

PubChemData

Smile

CC1CCC(C1)NC(=O)C2=C(N=CC(=C2)Br)N

DOS

IR

Vibrations