Geometry & MOs

Info

ID:	260549
PubChem CID:	103194827
Reduced:	FON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	3.75
IP(EA), eV:	-9.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C(CN)C3=CC=C(C=C3)F

DOS

IR

Vibrations