Geometry & MOs

Info

ID:	330108
PubChem CID:	127247095
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	50.14
Dipole, Da:	2.97
IP(EA), eV:	-9.63(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-1-yl-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)C3=C4C=CC=NC4=CC=C3

DOS

IR

Vibrations