Geometry & MOs

Info

ID:	296161
PubChem CID:	117558524
Reduced:	ON4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	232.193949
ΔH_f, kcal/mol:	24.15
Dipole, Da:	2.86
IP(EA), eV:	-9.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-tert-butylphenyl)cyclopentane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC(=O)C2=NC=CC(=C2)CN

DOS

IR

Vibrations