Geometry & MOs

Info

ID:	364455
PubChem CID:	127315707
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	4.47
IP(EA), eV:	-8.69(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4,7-dimethyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(OC=C2)C)C

DOS

IR

Vibrations