Geometry & MOs

Info

ID:	347953
PubChem CID:	127273015
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	359.243359
ΔH_f, kcal/mol:	31.39
Dipole, Da:	6.36
IP(EA), eV:	-8.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CSC(=N1)C2=CN(N=C2)C)N3CCN(CC3)C

DOS

IR

Vibrations