Geometry & MOs

Info

ID:	367659
PubChem CID:	127325188
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	61.05
Dipole, Da:	5.21
IP(EA), eV:	-9.06(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-(3-pyridin-3-ylbutanoyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)N=C(S2)NC(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations