Geometry & MOs

Info

ID:	355907
PubChem CID:	127290759
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-3.98
Dipole, Da:	2.08
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations