Geometry & MOs

Info

ID:	350802
PubChem CID:	127279090
Reduced:	ON7C21H31 (1)
Stoich.:	AB7C21D31 (1)
Weight, g/mol:	383.243359
ΔH_f, kcal/mol:	33.5
Dipole, Da:	10.13
IP(EA), eV:	-9.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NN=NN3C4=CC=C(C=C4)C

DOS

IR

Vibrations