Geometry & MOs

Info

ID:	347223
PubChem CID:	127271764
Reduced:	ON4C24H34 (1)
Stoich.:	AB4C24D34 (1)
Weight, g/mol:	397.259009
ΔH_f, kcal/mol:	-21.08
Dipole, Da:	2.24
IP(EA), eV:	-8.8(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCC(CC2)NC(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations