Geometry & MOs

Info

ID:	369724
PubChem CID:	127335154
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	344.257612
ΔH_f, kcal/mol:	-18.88
Dipole, Da:	4.82
IP(EA), eV:	-8.54(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations