Geometry & MOs

Info

ID:	156742
PubChem CID:	56374066
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	419.206973
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	6.54
IP(EA), eV:	-8.59(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indazole-3-carbonyl)-N-(2-pyrrolidin-1-ylpyridin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CO2)CCNC(=O)NC3=C(N=CC=C3)N4CCCC4

DOS

IR

Vibrations