Geometry & MOs

Info

ID:	169756
PubChem CID:	75144099
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	444.248504
ΔH_f, kcal/mol:	-103.57
Dipole, Da:	4.21
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)-1-[3-(4-propan-2-ylpiperazine-1-carbonyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

CCCC1C(C(NN1)C2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations