Geometry & MOs

Info

ID:	125263
PubChem CID:	50917628
Reduced:	FO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	505.306944
ΔH_f, kcal/mol:	-118.82
Dipole, Da:	3.84
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[[4-[(1-diethoxyphosphoryl-2,2-dimethylpropyl)amino]phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)OC2CCN(CC2)C(=O)CNC3=CC=NN(C3=O)C

DOS

IR

Vibrations