Geometry & MOs

Info

ID:	358131
PubChem CID:	127295676
Reduced:	FO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	393.181919
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	4.44
IP(EA), eV:	-9.32(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCCC3=CC=CC=C3F

DOS

IR

Vibrations