Geometry & MOs

Info

ID:	354879
PubChem CID:	127287639
Reduced:	ClON2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	297.18009
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	3.89
IP(EA), eV:	-9.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylmorpholin-2-yl)methyl]-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C(C)(C)NCC(=O)N2CCCC2C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations