Geometry & MOs

Info

ID:	350830
PubChem CID:	127279118
Reduced:	SN2O3C20H34 (1)
Stoich.:	AB2C3D20E34 (1)
Weight, g/mol:	364.15537
ΔH_f, kcal/mol:	-150.96
Dipole, Da:	3.97
IP(EA), eV:	-8.74(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-cyclobutylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCCC3C4CCC4

DOS

IR

Vibrations