Geometry & MOs

Info

ID:	260546
PubChem CID:	103194782
Reduced:	BrON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	4.75
IP(EA), eV:	-8.26(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1Br)N2CCCC3C2CNC3=O)N

DOS

IR

Vibrations