Geometry & MOs

Info

ID:	367486
PubChem CID:	127324818
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	376.141452
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	5.42
IP(EA), eV:	-9.23(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC(CC1)C(=O)NC2CCN(CC2)CC3=CN=CC=C3

DOS

IR

Vibrations