Geometry & MOs

Info

ID:	396533
PubChem CID:	135028678
Reduced:	IO2H15C20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	323.282429
ΔH_f, kcal/mol:	8.27
Dipole, Da:	2.74
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-dodecyl-N-prop-2-ynylcarbamate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C2=CC=CC=C2C=C1)/C(=C\I)/C3=CC=CC=C3

DOS

IR

Vibrations