Geometry & MOs

Info

ID:	206780
PubChem CID:	80300814
Reduced:	NO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	181.067369
ΔH_f, kcal/mol:	-73.09
Dipole, Da:	3.4
IP(EA), eV:	-9.07(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-sulfanylbutyl)imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(CCCO)NCC1=COC=C1

DOS

IR

Vibrations