Geometry & MOs

Info

ID:	180557
PubChem CID:	76653536
Reduced:	NO11C42H49 (1)
Stoich.:	AB11C42D49 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-398.06
Dipole, Da:	13.34
IP(EA), eV:	-9.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2,3,4,5-tetramethylphenyl)but-2-enoyl azide

Drug info:

PubChemData

Smile

CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)NC(CC(=O)O)C(=O)O)O)C)C

DOS

IR

Vibrations