Geometry & MOs

Info

ID:	191538
PubChem CID:	78161547
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-11.78
Dipole, Da:	4.71
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-1-phenylethyl)-2-(2-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)NC(CC2=CC=CC=C2)C(C3=NC4=CC=CC=C4N3)O

DOS

IR

Vibrations