Geometry & MOs

Info

ID:	372656
PubChem CID:	131301645
Reduced:	INOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-26.34
Dipole, Da:	2.9
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-1,3-benzodioxol-4-yl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)I)CCC2(CO)N

DOS

IR

Vibrations