Geometry & MOs

Info

ID:	370241
PubChem CID:	127337908
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	390.274324
ΔH_f, kcal/mol:	-35.29
Dipole, Da:	1.52
IP(EA), eV:	-8.69(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-(2-methoxyethyl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations