Geometry & MOs

Info

ID:	365415
PubChem CID:	127317814
Reduced:	ON6C15H24 (1)
Stoich.:	AB6C15D24 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-1.84
Dipole, Da:	5.75
IP(EA), eV:	-8.9(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC3=NN=C4N3CCC4

DOS

IR

Vibrations