Geometry & MOs

Info

ID:	354038
PubChem CID:	127285695
Reduced:	ON3C7H12 (2)
Stoich.:	AB3C7D12 (2)
Weight, g/mol:	282.180424
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	7.25
IP(EA), eV:	-8.79(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations