Geometry & MOs

Info

ID:	263540
PubChem CID:	103376561
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	6.25
IP(EA), eV:	-10.43(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-hydroxypropoxy)acetonitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(C#N)OCCCO

DOS

IR

Vibrations