Geometry & MOs

Info

ID:	84999
PubChem CID:	49871271
Reduced:	O4N5C28H35 (1)
Stoich.:	A4B5C28D35 (1)
Weight, g/mol:	726.12657
ΔH_f, kcal/mol:	-99.07
Dipole, Da:	5.67
IP(EA), eV:	-8.91(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibromonickel;(1R,2R)-2-N-(naphthalen-1-ylmethyl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=N1)OC)CCC2(CC(=O)C(C(=O)O2)CC3=NN4C(=CC(=NC4=N3)C)C)C5CCCC5

DOS

IR

Vibrations