Geometry & MOs

Info

ID:	330041
PubChem CID:	127247028
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	322.154209
ΔH_f, kcal/mol:	48.56
Dipole, Da:	5.16
IP(EA), eV:	-8.78(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-3-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)/C=C/C3=CC=NC=C3

DOS

IR

Vibrations