Geometry & MOs

Info

ID:	370281
PubChem CID:	127337950
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	388.29506
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	7.24
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethylbutyl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCNC(=O)C3C4=CC=CC=C4

DOS

IR

Vibrations