Geometry & MOs

Info

ID:	163906
PubChem CID:	74380725
Reduced:	ON5C25H33 (1)
Stoich.:	AB5C25D33 (1)
Weight, g/mol:	463.294725
ΔH_f, kcal/mol:	26.09
Dipole, Da:	6.29
IP(EA), eV:	-8.27(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2C3CC(CCC3NN2)C(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations