Geometry & MOs

Info

ID:	198661
PubChem CID:	79132068
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-101.51
Dipole, Da:	2.61
IP(EA), eV:	-9.91(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(hydroxy)methyl]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC1(CC(CCO1)(C2(CCCC2)C#N)O)C

DOS

IR

Vibrations