Geometry & MOs

Info

ID:	323422
PubChem CID:	126674774
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	564.267188
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	3.56
IP(EA), eV:	-8.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(2-morpholin-4-ylpyrimidin-4-yl)oxycyclohexyl]urea

Drug info:

PubChemData

Smile

CNC(=O)C1=C(N=CC(=C1)/C(=C(\CN2CCCC(C2)O)/N)/C=NC)N

DOS

IR

Vibrations