Geometry & MOs

Info

ID:	370089
PubChem CID:	127337405
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-141.31
Dipole, Da:	4.52
IP(EA), eV:	-8.68(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)N3CCN(CC3)CC4CCOCC4)(C)C

DOS

IR

Vibrations