Geometry & MOs

Info

ID:	354232
PubChem CID:	127286196
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	393.181919
ΔH_f, kcal/mol:	-127.37
Dipole, Da:	2.48
IP(EA), eV:	-8.57(-0.35)
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]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNC(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations