Geometry & MOs

Info

ID:	319183
PubChem CID:	126655273
Reduced:	N2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	510.219095
ΔH_f, kcal/mol:	45.32
Dipole, Da:	4.18
IP(EA), eV:	-8.46(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=NN2

DOS

IR

Vibrations