Geometry & MOs

Info

ID:	260509
PubChem CID:	103194169
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	7.57
IP(EA), eV:	-8.62(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N2CCCC3C2CNC3=O)N

DOS

IR

Vibrations