Geometry & MOs

Info

ID:	170564
PubChem CID:	75253318
Reduced:	OF2N5H21C23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	405.135638
ΔH_f, kcal/mol:	-26.52
Dipole, Da:	5.1
IP(EA), eV:	-8.93(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrol-4-yl)-4H-isoquinolin-1-ylidene]-5-chloro-1H-pyrrolo[2,3-c]pyridin-2-one

Drug info:

PubChemData

Smile

CCC1=NN=C2N1C=C(C=C2C3=CC=C(C=C3)C)C(=O)NC(C)C4=C(C=C(C=N4)F)F

DOS

IR

Vibrations