Geometry & MOs

Info

ID:	442321
PubChem CID:	135251322
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	232.182772
ΔH_f, kcal/mol:	-165.89
Dipole, Da:	3.28
IP(EA), eV:	-9.06(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(acetyl(15N)amino)-2-(dimethylamino)-N-(113C)methylhexanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CC#N)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations