Geometry & MOs

Info

ID:	323471
PubChem CID:	126674917
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	518.21409
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	1.72
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(hydroxymethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-[(6-phenyl-1,2-dihydropyridazin-3-yl)oxy]cyclohexyl]urea

Drug info:

PubChemData

Smile

CCC(C(=O)NC1CCCC1)NC(=O)C2=C(N=CC(=C2)/C(=C/N)/C=NC)N

DOS

IR

Vibrations