Geometry & MOs

Info

ID:	135893
PubChem CID:	51953729
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	405.206385
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	2.19
IP(EA), eV:	-8.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-[3-(furan-2-ylmethoxy)propyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N[C@H](C)C2=CC(=C(C=C2)OC3CCCC3)OC

DOS

IR

Vibrations