Geometry & MOs

Info

ID:	356740
PubChem CID:	127292221
Reduced:	ON5C17H33 (1)
Stoich.:	AB5C17D33 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-45.11
Dipole, Da:	2.54
IP(EA), eV:	-8.26(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpiperidin-4-yl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)NC2CCN(CC2)C3CC3

DOS

IR

Vibrations