Geometry & MOs

Info

ID:	325972
PubChem CID:	126685848
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	228.256549
ΔH_f, kcal/mol:	-204.61
Dipole, Da:	5.98
IP(EA), eV:	-10.76(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(4-methylpentyl)heptane-1,2-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC[C@@H](C1)C(=O)O

DOS

IR

Vibrations