Geometry & MOs

Info

ID:	43287
PubChem CID:	10320727
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	434.329714
ΔH_f, kcal/mol:	-57.87
Dipole, Da:	3.76
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-tert-butylphenyl)cyclopentyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=CC(=C2)F)N3CCN(CC3)CCC4=CC5=C(C=C4)OCC(=O)N5C

DOS

IR

Vibrations