Geometry & MOs

Info

ID:	213081
PubChem CID:	81062793
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	5.02
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=CC=CC(=C1)/C(=N/O)/N

DOS

IR

Vibrations