Geometry & MOs

Info

ID:	369779
PubChem CID:	127335267
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-54.48
Dipole, Da:	3.29
IP(EA), eV:	-8.65(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butanoyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CCC(=O)N3

DOS

IR

Vibrations