Geometry & MOs

Info

ID:	258470
PubChem CID:	103154250
Reduced:	O2N3C9H17 (1)
Stoich.:	A2B3C9D17 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	0.45
IP(EA), eV:	-9.39(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(azocan-1-yl)-3-methoxybutan-1-one

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)CC(CN)OC

DOS

IR

Vibrations