Geometry & MOs

Info

ID:	355248
PubChem CID:	127288180
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-99.64
Dipole, Da:	1.08
IP(EA), eV:	-8.88(0.65)
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]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations