Geometry & MOs

Info

ID:	348461
PubChem CID:	127273572
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	-84.05
Dipole, Da:	1.38
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC)NC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations