Geometry & MOs

Info

ID:	447677
PubChem CID:	135284739
Reduced:	O3N4C28H30 (1)
Stoich.:	A3B4C28D30 (1)
Weight, g/mol:	385.216555
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	5.72
IP(EA), eV:	-8.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-amino-2,4-dimethylpentoxy)-3-fluorophenyl]-6-ethyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(C1=CC=CC=C1)C(=O)N2[C@@H](CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)NC

DOS

IR

Vibrations