Geometry & MOs

Info

ID:	344625
PubChem CID:	127268210
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	7.29
IP(EA), eV:	-8.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-N-methyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)N(C1CCCC1)C(=O)CN2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations