Geometry & MOs

Info

ID:	354485
PubChem CID:	127287034
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	301.182398
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	2.81
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-morpholin-4-ylbutan-2-yl)-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NCC3=CN=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations