Geometry & MOs

Info

ID:	370283
PubChem CID:	127337952
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	23.45
Dipole, Da:	4.45
IP(EA), eV:	-8.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N(C)CC3=CC=CC=N3

DOS

IR

Vibrations