Geometry & MOs

Info

ID:	378698
PubChem CID:	134224793
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	1.97
IP(EA), eV:	-8.87(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylhex-3-yn-2-yloxymethylbenzene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(OCC2)CNC

DOS

IR

Vibrations