Geometry & MOs

Info

ID:	70128
PubChem CID:	47208016
Reduced:	ClO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	290.072513
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	2.68
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CN=C1COC(=O)C2=CC3=C(C=C2)C=CN3)Cl

DOS

IR

Vibrations