Geometry & MOs

Info

ID:	200880
PubChem CID:	79458054
Reduced:	BrO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	246.209599
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	5.61
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(4-tert-butylphenyl)cyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)N)Br

DOS

IR

Vibrations