Geometry & MOs

Info

ID:	405244
PubChem CID:	135073183
Reduced:	NSO3C31H47 (1)
Stoich.:	ABC3D31E47 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	3.19
IP(EA), eV:	-9.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-N,N-diethylhept-6-ynamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N(CC#CC(C2CC2)O)CC(=C)C3CCCCC3)C(C)C

DOS

IR

Vibrations