Geometry & MOs

Info

ID:	183100
PubChem CID:	76979610
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	232.124549
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	2.34
IP(EA), eV:	-8.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylsulfanyl-1-(1,4-oxazepan-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=NO)N)N2CCCOCC2)C

DOS

IR

Vibrations