Geometry & MOs

Info

ID:	247502
PubChem CID:	103071951
Reduced:	OSN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-22.74
Dipole, Da:	2.49
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(methylaminomethyl)prop-2-enyl]azepane-2,7-dione

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=C)CNC(C)(C)C)C

DOS

IR

Vibrations