Geometry & MOs

Info

ID:	346662
PubChem CID:	127271166
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	363.180758
ΔH_f, kcal/mol:	40.13
Dipole, Da:	3.67
IP(EA), eV:	-8.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=CN=C2)NC3CCN(CC3)C(=O)C4CC4)C

DOS

IR

Vibrations