Geometry & MOs

Info

ID:	320710
PubChem CID:	126662878
Reduced:	FO2N5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	4.23
IP(EA), eV:	-9.33(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-amino-6-(3,3-dimethylbutylamino)pyrimidin-4-yl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN1C2=NC=NC(=C2)NCC3=CC(=CC=C3)F)CNC(=O)O

DOS

IR

Vibrations