Geometry & MOs

Info

ID:	427699
PubChem CID:	135161465
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-171.38
Dipole, Da:	6.38
IP(EA), eV:	-9.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[[(Z)-but-2-en-2-yl]amino]propylamino]-2-methylpentanal

Drug info:

PubChemData

Smile

CCCC(=O)OC[C@]12CCC(C1(C)C)C(=O)C2=O

DOS

IR

Vibrations