Geometry & MOs

Info

ID:	368844
PubChem CID:	127330786
Reduced:	O3N5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	2.2
IP(EA), eV:	-8.67(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(oxan-4-yl)urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NC3CCOCC3

DOS

IR

Vibrations