Geometry & MOs

Info

ID:	376252
PubChem CID:	134222262
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	13.13
Dipole, Da:	3.17
IP(EA), eV:	-8.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylhex-5-en-3-yn-2-yloxymethylbenzene

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(S1)C(=O)N(C(=N2)N3CCC[C@H](C3)N)CC4=CC=CC=C4C#N

DOS

IR

Vibrations