Geometry & MOs

Info

ID:	369332
PubChem CID:	127332350
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	388.283826
ΔH_f, kcal/mol:	-62.77
Dipole, Da:	3.74
IP(EA), eV:	-8.69(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)NCC2CCC2)C

DOS

IR

Vibrations