Geometry & MOs

Info

ID:	357677
PubChem CID:	127294351
Reduced:	OSN6C18H26 (1)
Stoich.:	ABC6D18E26 (1)
Weight, g/mol:	373.259009
ΔH_f, kcal/mol:	24.4
Dipole, Da:	2.4
IP(EA), eV:	-8.63(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)CC(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations