Geometry & MOs

Info

ID:	354939
PubChem CID:	127287736
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	324.087685
ΔH_f, kcal/mol:	-49.19
Dipole, Da:	4.77
IP(EA), eV:	-9.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

DOS

IR

Vibrations