Geometry & MOs

Info

ID:	370319
PubChem CID:	127338056
Reduced:	ON6C20H32 (1)
Stoich.:	AB6C20D32 (1)
Weight, g/mol:	356.207307
ΔH_f, kcal/mol:	-20.63
Dipole, Da:	7.89
IP(EA), eV:	-8.4(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations