Geometry & MOs

Info

ID:	329836
PubChem CID:	127246703
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	4.77
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-indazol-1-yl-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CC3CCCC3

DOS

IR

Vibrations