Geometry & MOs

Info

ID:	369013
PubChem CID:	127331117
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-51.66
Dipole, Da:	2.84
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)N(C)CC2=NC=CN=C2

DOS

IR

Vibrations