Geometry & MOs

Info

ID:	395923
PubChem CID:	135026904
Reduced:	BrClO2N3H25C31 (1)
Stoich.:	ABC2D3E25F31 (1)
Weight, g/mol:	310.334799
ΔH_f, kcal/mol:	11.67
Dipole, Da:	1.97
IP(EA), eV:	-8.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-N,2-N-bis(3,3-dimethylbutyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC2[C@@H]([C@@]3(CCC4=C(C3=O)NC5=CC=CC=C45)[C@]6(N2C1)C7=C(C=CC(=C7)Cl)NC6=O)C8=CC=C(C=C8)Br

DOS

IR

Vibrations