Geometry & MOs

Info

ID:	206745
PubChem CID:	80295003
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-137.6
Dipole, Da:	2.59
IP(EA), eV:	-8.89(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-hydroxypentan-2-ylamino)azepan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(CNC(C)CCCO)O

DOS

IR

Vibrations