Geometry & MOs

Info

ID:	364378
PubChem CID:	127315555
Reduced:	SO2N7C16H21 (1)
Stoich.:	AB2C7D16E21 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	12.88
Dipole, Da:	5.32
IP(EA), eV:	-8.57(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1H-indazole-7-carbonyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCCN2C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations