Geometry & MOs

Info

ID:	356725
PubChem CID:	127292206
Reduced:	ClOSN4C18H21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	2.84
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzoylpiperidin-4-yl)-1-(oxan-2-ylmethyl)-1-propylurea

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations