Geometry & MOs

Info

ID:	445229
PubChem CID:	135265234
Reduced:	NPC4H12 (1)
Stoich.:	ABC4D12 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	2.24
IP(EA), eV:	-8.99(2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-benzylsulfanyl-2-methylpropoxy)methyl]-1H-imidazole

Drug info:

PubChemData

Smile

CPCCCN

DOS

IR

Vibrations