Geometry & MOs

Info

ID:	370090
PubChem CID:	127337406
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-52.35
Dipole, Da:	6.33
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CC(CC4=C3C=C(O4)C)(C)C

DOS

IR

Vibrations