Geometry & MOs

Info

ID:	356432
PubChem CID:	127291505
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-108.52
Dipole, Da:	2.9
IP(EA), eV:	-8.72(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1CCCN(C1)C(=O)C2(CCCC2)O

DOS

IR

Vibrations