Geometry & MOs

Info

ID:	129808
PubChem CID:	51073914
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-4.89
Dipole, Da:	2.65
IP(EA), eV:	-9.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CSCC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC=CO3

DOS

IR

Vibrations