Geometry & MOs

Info

ID:	360401
PubChem CID:	127301046
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-43.53
Dipole, Da:	4.24
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CNC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations