Geometry & MOs

Info

ID:	319180
PubChem CID:	126655270
Reduced:	F2O4N5C25H25 (1)
Stoich.:	A2B4C5D25E25 (1)
Weight, g/mol:	483.171811
ΔH_f, kcal/mol:	-188.61
Dipole, Da:	3.45
IP(EA), eV:	-9.72(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2,6-difluorophenyl)-4-[3-(ethylcarbamoyl)pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)CC1=NN(C=C1)C2=CC(=NC3=C2C(=O)N(C3)C(=O)OC(C)(C)C)C4=C(C=CC=C4F)F

DOS

IR

Vibrations