Geometry & MOs

Info

ID:	368996
PubChem CID:	127331100
Reduced:	O3N5C19H35 (1)
Stoich.:	A3B5C19D35 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	4.73
IP(EA), eV:	-8.55(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(CCO1)C(=O)NC2CCN(CC2)C3CCN(CC3)C

DOS

IR

Vibrations