Geometry & MOs

Info

ID:	150300
PubChem CID:	53789988
Reduced:	FN4O4C34H43 (1)
Stoich.:	AB4C4D34E43 (1)
Weight, g/mol:	154.110613
ΔH_f, kcal/mol:	-184.48
Dipole, Da:	3.96
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,5,6,7-hexahydropyrrolo[3,4-b]pyridin-7a-ylmethanol

Drug info:

PubChemData

Smile

CCCC(CCC)N(C1=CC(=C(C=C1)F)C)C(=O)CN2C[C@@H](C([C@@H]2CCN3C=CN=C3)C(=O)O)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations