Geometry & MOs

Info

ID:	227187
PubChem CID:	87560493
Reduced:	Cl2N3O4C25H25 (1)
Stoich.:	A2B3C4D25E25 (1)
Weight, g/mol:	224.214016
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	1.22
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4-trimethyldodec-1-yn-1-ol

Drug info:

PubChemData

Smile

C#CCN1C(C(=O)N(CC1=O)CCC2=C(C=C(C=C2)Cl)Cl)CC(=O)NCCC3=CC=C(C=C3)O

DOS

IR

Vibrations