Geometry & MOs

Info

ID:	223726
PubChem CID:	85335484
Reduced:	F3N4O5C24H35 (1)
Stoich.:	A3B4C5D24E35 (1)
Weight, g/mol:	517.216396
ΔH_f, kcal/mol:	-351.07
Dipole, Da:	4.23
IP(EA), eV:	-9.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-amino-3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-phenylcyclobutyl]methyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C2=NOC(=C2)C(C)(C)C

DOS

IR

Vibrations