Geometry & MOs

Info

ID:	349655
PubChem CID:	127275807
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-80.56
Dipole, Da:	5.6
IP(EA), eV:	-8.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CC2=CC=CC=C2C1)C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations