Geometry & MOs

Info

ID:	365441
PubChem CID:	127317840
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	379.166269
ΔH_f, kcal/mol:	-119.35
Dipole, Da:	5.38
IP(EA), eV:	-8.58(-0.14)
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-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)N3CC4CCCN4CC3C

DOS

IR

Vibrations