Geometry & MOs

Info

ID:	361834
PubChem CID:	127304805
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	37.25
Dipole, Da:	6.78
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCN(CC3)CC4=CN=C(S4)C

DOS

IR

Vibrations