Geometry & MOs

Info

ID:	370246
PubChem CID:	127337913
Reduced:	ON6C20H34 (1)
Stoich.:	AB6C20D34 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-34.49
Dipole, Da:	3.56
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCN1CCNC(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations