Geometry & MOs

Info

ID:	129586
PubChem CID:	51073185
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-166.55
Dipole, Da:	5.57
IP(EA), eV:	-9.17(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CCC2=CC=CC=C2OCC

DOS

IR

Vibrations