Geometry & MOs

Info

ID:	374752
PubChem CID:	131342629
Reduced:	ClNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	223.040006
ΔH_f, kcal/mol:	-52.94
Dipole, Da:	3.34
IP(EA), eV:	-9.23(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloro-2,3-dihydro-1-benzofuran-5-yl)-3-hydroxypropanenitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)(C2(CCCC2)N)O

DOS

IR

Vibrations