Geometry & MOs

Info

ID:	358196
PubChem CID:	127295741
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	322.182733
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	4.93
IP(EA), eV:	-8.96(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3CCN(CC3)CC4=CC=NC=C4

DOS

IR

Vibrations