Geometry & MOs

Info

ID:	177459
PubChem CID:	76188058
Reduced:	F2O3N7C26H33 (1)
Stoich.:	A2B3C7D26E33 (1)
Weight, g/mol:	478.269239
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	1.72
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-methoxyphenyl)-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-(4-phenylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(COC)C1=NC(=NO1)N2CCC(CC2)COC3=CN=C(N=C3)N4CC(C(C4)N)C5=C(C=CC(=C5)F)F

DOS

IR

Vibrations