Geometry & MOs

Info

ID:	411657
PubChem CID:	135084491
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	-22.92
Dipole, Da:	4.72
IP(EA), eV:	-9.55(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)prop-2-ynoyl azide

Drug info:

PubChemData

Smile

CN1C[C@H](NC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations