Geometry & MOs

Info

ID:	126722
PubChem CID:	50974868
Reduced:	ON4C23H30 (1)
Stoich.:	AB4C23D30 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	14.11
Dipole, Da:	6.46
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-pyridin-2-ylethyl)phenyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2(CCNCC2)CN3CCCC(C3)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations