Geometry & MOs

Info

ID:	349254
PubChem CID:	127274980
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	20.69
Dipole, Da:	2.63
IP(EA), eV:	-8.27(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)N4CCCN(CC4)CC5=CSC=N5

DOS

IR

Vibrations