Geometry & MOs

Info

ID:	357404
PubChem CID:	127294037
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-102.76
Dipole, Da:	7.42
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-indazol-1-yl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4)C5=CN=CC=C5

DOS

IR

Vibrations