Geometry & MOs

Info

ID:	363603
PubChem CID:	127311682
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	287.166748
ΔH_f, kcal/mol:	-73.24
Dipole, Da:	3.57
IP(EA), eV:	-8.65(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(oxolan-2-yl)ethyl]-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)NCCN(C)C3CC3)(C)C

DOS

IR

Vibrations