Geometry & MOs

Info

ID:	360178
PubChem CID:	127300819
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-69.97
Dipole, Da:	5.4
IP(EA), eV:	-8.52(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations