Geometry & MOs

Info

ID:	369947
PubChem CID:	127336880
Reduced:	FO3N4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	301.182398
ΔH_f, kcal/mol:	-164.79
Dipole, Da:	3.14
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1CCC(C1)NC(=O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations