Geometry & MOs

Info

ID:	313952
PubChem CID:	126619169
Reduced:	F2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	-115.3
Dipole, Da:	1.77
IP(EA), eV:	-9.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

COC(=O)C1CC(C1)N2CCC3=NC(=NC=C3C2)CC4=C(C=CC=C4F)F

DOS

IR

Vibrations