Geometry & MOs

Info

ID:	158296
PubChem CID:	56463313
Reduced:	OSN10C23H34 (1)
Stoich.:	ABC10D23E34 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	71.99
Dipole, Da:	7.34
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-5-nitro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations