Geometry & MOs

Info

ID:	405087
PubChem CID:	135072505
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	-51.57
Dipole, Da:	3.34
IP(EA), eV:	-8.59(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-hex-1-ynylmethanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations