Geometry & MOs

Info

ID:	406384
PubChem CID:	135077401
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	1.73
Dipole, Da:	7.38
IP(EA), eV:	-9.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,7-dimethyloct-6-en-1-yn-3-yloxymethyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C#C)OCC1=CC=C(C=C1)[N+](=O)[O-])C

DOS

IR

Vibrations