Geometry & MOs

Info

ID:	354017
PubChem CID:	127285674
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	334.167477
ΔH_f, kcal/mol:	-79.43
Dipole, Da:	4.91
IP(EA), eV:	-8.85(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylmorpholin-2-yl)methyl]-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(CC2)NC(=O)NCC3CN(CCO3)C

DOS

IR

Vibrations