Geometry & MOs

Info

ID:	258789
PubChem CID:	103157016
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-128.45
Dipole, Da:	6.41
IP(EA), eV:	-9.99(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C(CC#C)N

DOS

IR

Vibrations