Geometry & MOs

Info

ID:	355852
PubChem CID:	127290704
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	317.196408
ΔH_f, kcal/mol:	21.21
Dipole, Da:	1.54
IP(EA), eV:	-8.69(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NC3=NC4=C(S3)CCCCC4

DOS

IR

Vibrations