Geometry & MOs

Info

ID:	356874
PubChem CID:	127292478
Reduced:	OSN5C18H31 (1)
Stoich.:	ABC5D18E31 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-33.28
Dipole, Da:	3.19
IP(EA), eV:	-8.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CCC(C1=NC(=CS1)C)NC(=O)N2CCC(C2)N3CCN(CC3)CC

DOS

IR

Vibrations