Geometry & MOs

Info

ID:	260177
PubChem CID:	103183895
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	243.104148
ΔH_f, kcal/mol:	-54.99
Dipole, Da:	4.28
IP(EA), eV:	-8.25(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methoxypropoxy)ethyl]imidazole-2-carbothioamide

Drug info:

PubChemData

Smile

COCCCOCCN1C=C(C2=CC=CC=C21)CCN

DOS

IR

Vibrations