Geometry & MOs

Info

ID:	399768
PubChem CID:	135042466
Reduced:	NC19H25 (1)
Stoich.:	AB19C25 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	30.57
Dipole, Da:	1.61
IP(EA), eV:	-8.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hex-1-ynylphenyl) methyl carbonate

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(=CC#CC2=CC(=CC=C2)N)CC1

DOS

IR

Vibrations