Geometry & MOs

Info

ID:	364618
PubChem CID:	127315870
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	1.36
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN2CC(CCC2=N1)NC(=O)C3=COC4=CC=CC=C43

DOS

IR

Vibrations