Geometry & MOs

Info

ID:	155274
PubChem CID:	56352857
Reduced:	IN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	428.315127
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	4.73
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C3=CNC4=C3C=CC=N4)I)OC

DOS

IR

Vibrations