Geometry & MOs

Info

ID:	328564
PubChem CID:	126724876
Reduced:	ON6C33H56 (1)
Stoich.:	AB6C33D56 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-43.06
Dipole, Da:	5.71
IP(EA), eV:	-8.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-ethynyl-3-hydroxy-1-methylazepan-2-one

Drug info:

PubChemData

Smile

CC(C)(CCC(C)(CCC(C)(C)N1CCN(CC1)C2=CC=C(C=C2)C#N)N3CCN(CC3)C)N4CCC(CC4)O

DOS

IR

Vibrations