Geometry & MOs

Info

ID:	333841
PubChem CID:	127252393
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	27.51
Dipole, Da:	3.06
IP(EA), eV:	-9.39(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CN(N=C2)C)C3=CC=NN3

DOS

IR

Vibrations