Geometry & MOs

Info

ID:	296037
PubChem CID:	117552163
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	260.079707
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	5.5
IP(EA), eV:	-8.76(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)CCCO)C2CCCC2

DOS

IR

Vibrations