Geometry & MOs

Info

ID:	367199
PubChem CID:	127323969
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-55.55
Dipole, Da:	2.35
IP(EA), eV:	-8.86(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(1-cyclopropylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC3CCN(CC3)C4CC4)C

DOS

IR

Vibrations