Geometry & MOs

Info

ID:	260510
PubChem CID:	103194184
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	-99.68
Dipole, Da:	6.63
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1N)C(=O)N2CCCC3C2CNC3=O

DOS

IR

Vibrations