Geometry & MOs

Info

ID:	367512
PubChem CID:	127324849
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	373.284161
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	3.54
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-2-piperidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)C(C)NC(=O)C3CCCCC3

DOS

IR

Vibrations