Geometry & MOs

Info

ID:	369939
PubChem CID:	127336836
Reduced:	N3O4C15H27 (1)
Stoich.:	A3B4C15D27 (1)
Weight, g/mol:	287.166748
ΔH_f, kcal/mol:	-210.19
Dipole, Da:	1.85
IP(EA), eV:	-9.21(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

CC(CN1CCCC1=O)NC(=O)NCC(C2CCOCC2)O

DOS

IR

Vibrations