Geometry & MOs

Info

ID:	76418
PubChem CID:	48424898
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	339.123736
ΔH_f, kcal/mol:	-103.48
Dipole, Da:	3.0
IP(EA), eV:	-9.63(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCC1)C)OCC2CC2

DOS

IR

Vibrations