Geometry & MOs

Info

ID:	284769
PubChem CID:	104069657
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-139.4
Dipole, Da:	2.71
IP(EA), eV:	-9.57(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-ethylazepan-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CC(CNC(=O)CCCCN)O

DOS

IR

Vibrations