Geometry & MOs

Info

ID:	196290
PubChem CID:	78805316
Reduced:	NF2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	336.179755
ΔH_f, kcal/mol:	-142.25
Dipole, Da:	3.48
IP(EA), eV:	-8.2(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(4-nitrophenyl)urea

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CNC(C)C2=CC(=C(C=C2)F)F)OCC

DOS

IR

Vibrations