Geometry & MOs

Info

ID:	138386
PubChem CID:	52358090
Reduced:	N2O3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	-94.31
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.988082
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-2-piperidin-1-ylpropyl)-3-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C[NH+](CCC(=O)N2CCOCC2)CC3=CC=CC=C3

DOS

IR

Vibrations