Geometry & MOs

Info

ID:	434306
PubChem CID:	135174663
Reduced:	FNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	4.46
IP(EA), eV:	-9.15(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCC(=O)CCC1=CC(=CC(=C1)F)OC2CC(C2)NC

DOS

IR

Vibrations